UNITED STATES DEPARTMENT OF COMMERCE • Luther H. Hodges, Secretary

NATIONAL BUREAU OF STANDARDS • A. V. Astin, Director

Tables of Einstein Functions

Vibrational Contributions to

the Thermodynamic Functions

Joseph Hilsenrath and Guy G. Ziegler

^ . National Bureau of Standards, Monograph 49 " Issued July 12, 1962

For sale by the Superintendent of Documents, U.S. GoverHmenl Printing Office Washington 25, D.C. - Price $2.75
f(03vs!i Bureau of Standards

AUG 2 4 1962

QC / 0.0
Foreword

This Monograph is one in a series of pubhcations presenting definitive

thermodynamic data of interest in pure and apphed science and in technology.

The tables of Einstein functions should be useful in estimating the thermodynamic properties of polyatomic gases at high and low temperature, as well as the heat conductivity and electrical conductivity of solids.

A. V. AsTiN, Director.

Ill
Contents

Page

Foreword in

1. Introduction v

2. Harmonic oscillator contributions to the thermodynamic properties. _ v

3. The tables and their use vi

4. Computation of the tables vi

5. References vii

Table I. Harmonic oscillator contributions (in dimensionless form)

to the thermodynamic functions for values of X—hcvjkT 1 Table II. Harmonic oscillator contributions to the thermodynamic

functions (in units of calories, moles, °K) 123

IV
Tables of Einstein Functions

Vibrational Contributions to the Thermodynamic Functions

Joseph Hilsenrath and Guy G. Ziegler

Tables are presented for the contribution of a harmonic oscillator to the free energy

function, enthalpy function, entropy, and heat capacity of gases. Dimensionless values of

the Planck-Einstein functions are given as a function of x — hcv/kT for x = 0.0010(.0001)

0.1500(.001) 4.000(.01) 10.00 (.2) 16.0. A second table which gives the contributions in cal/mole

° K directly as a function of frequency v, and temperature T, was computed using the values

1.43880 for the second radiation constant hc/k, and 1.98717 for the universal gas constant

R. The arguments for the latter table are spaced at 10 wave number intervals from 100

cm — 1 to 4000 cm — 1.

1. Introduction

Since the publication in 1940 [1] ^ of a short

table ot harmonic oscillator contributions obtained by interpolation from unpublished calculations of H. L. Johnston, the interest and need

for such tables has increased steadily. In 1942

the tables were modified as a result of changes in

the physical constants, and published as an appendix to a treatise on physical chemistry [2]. In the same year independent calculations were

published by Sherman and Ewell [3]. The advent of punched-card computing equipment stimulated the computation in 1948 of more

extensive tables by Krieger [4] and by Johnston,

Savedoff, and Belzer [5]. These tables incorporated the then most recent physical constants.

The Krieger tables were issued as a Rand report.

The extensive tables of Johnston et al.—^perhaps

the most convenient tabulation for thermodynamic calculations—were published as an ONR

' Figures in brackets indicate the literature references on p. vii.

report and have long since been out of print.

Other works on this subject include shorter but

useful tables by Miller, West, and Bernstein [6],

Torkington [7], and Overton and Hancock [8]. The recent acceptance by physicists and chemists of new values for the fundamental constants

and the continued demand for expanded and

convenient tables prompted the recomputation

and preparation of this volume. The authors

have tried to incorporate in this work a number

of the more desirable features of the above-cited

works, particularly with respect to their use in

calculations involving: Thermodynamic properties

of gases; specific heats, electrical and thermal

conductivity of solids; and molecular structure

and spectroscopy of diatomic and polyatomic

molecules. It is the hope of the authors that

the formal character of this publication will in- sure a more adequate notice and dissemination

than was accorded the earlier works, thereby

reducing the probability ot still further duplication

of effort.

2. Harmonic Oscillator Contributions to the Thermodynamic Properties

The application of statistical mechanical

methods to the computation of thermodynamic

properties of gases from the energy states of

atoms or molecmes requires, in part, the evaluation of the vibrational and electronic contributions

to the partition function. These can be written

in terms of sums of exponential functions with

suitable weighting factors, provided the partition

function is assumed separable. In computing the

vibrational contributions to the thermodynamic

properties, it is usually the practice to assume a rigid-rotator-harmonic oscillator as a first approximation and then to add corrections for

anharmonicities, centrifugal stretching, etc., when

suitable experimental data are available. The

harmonic oscillator contributions can be written

in terms of exponentials of the variable

x^hcvjkT as follows:

{H°-E°o)/RT=xe-'{l-e-')-'

S°/R=xe-'{l-e-')-'-\n{l-e-')

C;/R=x'e-^il-e-')-^

where: v is the oscillator or vibrational frequency

in wave numbers, T is the absolute temperature

in°K, hc/k = lA^8S0 cm/°K, and /?= 1.98717 cal/

mole °K. The value of the universal gas constant,

R, is consistent with To=273.15 °K for the ice

point, [9, 10] and with the new scale of atomic

weights based on C^^=12 [11]. The value used

for hc/k in this calculation is very close to the value

1.43879 cm/°K of the new least squares adjusted

physical constants [12].

V
3. The Tables and Their Use

Two tables have been generated from the present calculations. The first constitutes a basic

mathematical table, independent of any physical

constants, tabulated at closely spaced intervals of

the argument. The second table is presented

primarily for the convenience of those engaged in

thermodynamic investigations to facilitate calculations at specific temperatures physically attainable.

Table I gives the contributions to the four

thermodynamic functions in dimensionless form

for closely spaced values of x=hcvlkT. The

values can easily be converted to any desired set

of units by multiplying by the gas constant R, in

appropriate units. For properties on a molar

basis i?= 1.98717 cal/mole °K. The use of this

table requires the evaluation of a single argument

x=1.43879f/r for each frequency at 3ach temperature.

Interpolation, if required, is facilitated by the

listing of first differences for each of the four tabulated functions. The spacing of the argument x is as follows: 0.0010(.0001)0.1500(.001)4.000(.01)

10.00(.2)16.0. The spacing of table I is such that,

except for values on the first two pages, linear

interpolation will give values accurate to one unit

in the fifth decimal place. For values of x below

0.01 (on the first two pages) the error resulting

from linear interpolation is at most one-eighth of

the second difference. For such applications where

this error is excessive, use may be made of a 3 or 4

point nonlinear interpolation scheme using

Lagrangian interpolation coefficients or an equivalent method employing higher order differences.

Table II lists the vibrational contributions to the

free energy function, entropy and heat capacity

(in cal/mole °K) explicitly as a fimction of frequency V in cm~i and temperature T in °K. The

tabulated temperatures are 273.15 °K, 298.15 °K,

400 °K and from there on in 100° intervals to

5000 °K. For each temperature the tables start

uniformly at 100 cm~^ and extend to 4000 cm~i.

The usefulness of table II can be easily extended

to temperatures below 400 °K or to values other

than those listed by simple inspection. The

tabulated contributions to the thermal function

depend only on the ratio v/T. Thus the values

listed at 1000 °K are equally applicable to 10 and

100 °K. In the former case the corresponding

frequency would be divided by 100 giving a range

of 1 to 40 cm~i at easily interpolatable intervals of

0.1 cm~i. In the latter case the frequency would

be divided by 10 giving a frequency range of 10

to 400 cm~i at intervals of 1 cm~^. This reduction

of the frequency range which accompanies any

calculations at lower temperatures is not restrictive

in practice. In the examples cited, frequencies

greater than 40 cm~i at 10 °K, and 400 cm~i at

100 °K do not contribute appreciably to the

thermal functions. In a similar fashion, the

present construction of table II permits simple

conversion of the tabulated values to a range of

intermediate temperatures within the tabulated

range. For example, between 500 and 600 °K,

one can obtain contributions to the thermal

function at 550 °K by doubling the frequencies

and reading the values from the 1100 °K table.

Table II is intended for use at the tabulated

arguments or at equivalent arguments easily

derivable from them. Since it is not recommended

for situations involving interpolations (except as outlined above), no differences are given. Where

interpolation cannot be avoided, use should be

made of table I.

4. Computation of the Tables

The tables were computed on the IBM 704

Computer from a program written in the Fortran

language and employing mathematical subroutines

obtained from the Fortran Library. These were

Bell Laboratory modifications of Fortran versions

of Los Alamos programs distributed by SHARE

under numbers LA S816 for and LA S820 for

In X. These subroutines, which are now fairly

standard, have an error of at most 3 in the 8th

significant decimal digit.

The calculations were carried out in single

precision to machine accuracy and rounded to the

figures tabulated. Accordingly, the tables should

be correct to within K unit in the last place

tabulated. The tables were printed directly from

the machine-printed copy, except for the headings,

which were hand typed. Such comparisons as were made between our table I and the corresponding table of Johnston, Savedoff, and Belzer indicate

exact agreement over all but the first few entries

where the difference is only one in the 5th decimal.

The differences between our table II and the

earlier works are small and result from the use of

different fundamental constants.

The authors acknowledge the assistance

j rendered by Miss Carla Harms in checking the I tables, and by Mrs. Eleanor F. Rozsics in preparing

the manuscript. Thanks are also due Dr. David

White for stimulating discussions and helpful

editorial suggestions.

VI
5. References

[1] Wilson, E. B. Jr., The present status of the statistical method of calculating thermodynamic functions,

Chem. Revs. 27, 17-38 (1940).

[2] Taylor and Glasstone, Treatise on physical chemistry,

Van Nostrand Co., Appendix I, Harmonic Oscilla- tor Contributions (1942).

[3] Sherman, J., and Ewell, R. B., Six place table of the

Einstein functions, J. Chem. Phys. 46, 641-62

(1942).

[4] Krieger, F. J., A table of vibrational contributions of a harmonic oscillator to thermodynamic functions.

Rand Report RA 15088, Douglas Aircraft Co.,

Inc. (July 1, 1948).

[5] Johnston, H. L., Savedoff, L., and Belzer, J., Contributions to the thermodynamic functions by a Planck-Einstein oscillator in one degree of free- dom, Tech. Rept. No. 3, The Ohio State University

Research Foundation, Columbus, Ohio, May 8, 1949. Prepared under ONR contract. Later published by the Superintendent of Documents, Government Printing Office, Washington 25, D.C.

(1949).

[6] Miller, E., West, K., and Bernstein, H. J., Tables of functions for the vibrational contributions to thermodynamic quantities, NRC Bull. No. 1, National

Research Council, Ottawa, Canada (1951).

[7] Torkington, P., Harmonic oscillator contributions to the thermodynamic functions, J. Chem. Phys. 18,

1373-79, (Oct. 1950).

[8] Overton, W. C. Jr., and Hancock, J. H., Tables of

Einstein energy, specific 'heat, and derivative specific heat functions, NRL Report 5502, Naval Research Laboratory,. Washington, D.C. (July 6, 1960).

[9] Comptes Rendus de la Onzieme Conference Generale

des Poids et Measures (1960).

[10] Stimson, H. F., International Practical Temperature

Scale of 1948: Text Revision of 1960, J. Research

NBS 65A (Phys. and Chem.) 139-145 (1961); also

issued as NBS Mono. 37 (Sept. 8, 1961).

[11] Batuecas, T., and Gueron, J., Preliminary report of the Commission on Atomic Weights. Reprint from

Information Bulletin No. 14b, International Union

of Pure and Applied Chemistry (1961).

[12] Cohen, E. R., Dumond, J. W. M., McNish, A. G.

(to be published).

VII

Table 1.

Harmonic Oscillator Contributions

(in dimensionless form)

to the Thermodynamic Functions

for Values of X=hcv/kT

Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z -(F°-e°)/rt h (H0-E°)/RT

U A S°/R A

p

0.0010 6. 90827 9526 0.99951 4 7.90778 9530 1.00000

0,0011 6. 81301 8697 0.99947 7 7.81248 8704 1.00000

0,0012 6. 72604 7999 0.99940 4 7.72544 8003 1.00000

0,0013 6. 64605 7407 0.99936 6 7.64541 7412 1.00000

0,0014 6, 57198 6894 0.99930 5 7.57129 6899 1.00000

0,0015 6. 50304 6449 0.99925 5 7.50230 6455 1. 00000

0,0016 6. 43855 6057 0.99920 5 7.43775 6062 1.00000

0,0017 6. 37798 5710 0.99915 4 7.37713 5714 1.00000

0,0018 6. 32088 5402 0.99911 5 7.31999 5408 1.00000

0,0019 6. 26686 5124 0.99906 5 7.26591 5129 1.00000

o . A 7 ^ ft OOO ft! t.o ZlHOA ftO ftU

1 - ftftftftft

0,0021 6. 16687 4647 0.99895 4 7,16532 4651 1.00000

0,0022 6. 12040 4440 0.99891 6 7,11931 4446 1.00000

0,0023 6. 07600 4251 0.99885 5 7,07485 4256 1.00000

0.0024 6, 03349 4078 0.99880 5 7,03229 4082 1.00000

QQ?7 1 -7 ~ X O ny •. <3Qft 7 ~ o 71 sJ 5 1 M ftftftftft

0.0026 5, 95355 3769 0.99870 4 6.95225 3773 1.00000

0.0027 5, 91586 3632 0.99866 6 6.91452 3638 1.00000

0.0028 5, 87954 3504 0,99860 5 6.87814 3509 1.00000

0.0029 5. 84450 3386 0.99855 5 6.84303 3390 1.00000

A nn ^ A C

z> •

ft Q Q fl ^ A U • 7 7 O !? U

c; ^ 0 no 1

1 - ftftftftft

0.0031 5. 77791 3171 0.99845 5 6.77636 3175 1.00000

0.0032 5. 74620 3072 0.99840 5 6.74461 3077 1.00000

0.0033 5, 71548 2980 0.99835 5 6.71384 2986 1.00000

0.0034 5. 68568 2894 0.99830 5 6.68398 2898 1.00000

0,0035 5. 65674 2811 0.99825 4 6.65500 2817 1.00000

0,0036 5, 62863 2736 0.99821 6 6.62683 2740 1.00000

0,0037 5, 60127 2661 0.99815 5 6.59943 2667 1.00000

0,0038 5, 57466 2593 0.99810 5 6.57276 2598 1.00000

0,0039 5, 54873 2527 0.99805 5 6.54678 2531 1.00000

0,0040 5, 52346 2464 0.99800 5 6.52147 2470 1.00000

0,0041 5, 49882 2405 0.99795 5 6.49677 2409 1.00000

0,0042 5, 47477 2348 0.99790 5 6.47268 2354 1.00000

0,0043 5. 45129 2294 0.99785 5 6.44914 2299 1.00000

0.0044 5. 42835 2242 0.99780 5 6.42615 2247 1.00000

0.0045 5. 40593 2193 0.99775 5 6.40368 2198 1. 00000

0,0046 5. 33400 2145 0.99770 4 6.38170 2150 1.00000

0,0047 5. 36255 2101 0.99766 6 6.36020 2106 1.00000

0, 0048 5. 34154 2057 0.99760 5 6.33914 2062 1.00000

0,0049 5. 32097 2015 0.99755 5 6.31852 2020 1.00000

0,0050 5. 30082 0.99750 6.29832 1.00000

3
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

A -(FO-E°)/rT Aa l,n°-i!,g;/Hr s°/r A C°/R

r

0,0050 5.30082 1976 0,99750 5 6.29832 1980 1 % 00000

0, 0055 i28106 1937 0-99745 5 6- P7fi'i2 1 94? . n n A A n 0, 0052 5 ,26170 1899 0.99740 5 6. 25910 1905 - 00000

0, 0053 5 •24270 1864 0.99735 4 6. 24005 1869 > 000 00

0, 0054 5 ,22406 1830 0.99731 6 6. 22136 1835 • 00000

0,0055 5 ,20576 1797 0.99725 5 6.20301 1802 1 ,00000

0, 0056 1765 0.99720 5 6. 18499 1 770 . OOOOO

0, 0057 5 ,17014 1734 0.99715 5 6.16729 W • AW r fa. 7 1739 » UUUUv

5 ,15280 1705 0. 99710 5 V X ~ 7 7 y • UUUUU

0, 0059 5 ,13575 1675 0.99705 5 6.W V 13280 A fa V ^ 1680 ., OOOOO ^ WU U V 0,0060 5 ,11900 1649 0.99700 5 6.11600 1653 1 » OOOOO

0,0061 5 • 10251 1620 0.99695 4 6.09947 1626 • OOOOO

0.w © 0062 V/ V W fa 5 ,08631 1595 0.99691 5 6.08321 1600 • OOOOO

0-0063 5 ,07036 1570 0.99686 6 6.06721 1575 ft• OOOOO V V V W V

0. 0064 5 ,05466 1546 0 .9968 0 4 6.05 146 1550 • OOOOO

0,0065 5 .03920 1522 0.99676 6 6.03596 1527 1 ,00000

5 ,02398 1498 0 . 996 70 5 6- 02069 1504 _ noooo

5(,00900 1^77 0W • OOAA^ 7 7 o o 5 o . u u O 1 4R 1 m. 0 on 0

n nn Aft 4 ,99423 OW •- QQ7 7 AO AO OU 5 •5 - 990fl4 1X 46"TO O\J -» noooo UUUUU

4 ,97968 W • ~ 7 w 5 5 - 976P4 X1 439 ^ 7 .• OOOOO UUUUU

0,0070 4<,96534 1413 0.99650 4 5.96185 1419 1 ,00000

0-0071 4 < 1394 0.99646 5 5 • 94766 1398 •P OOOOO V V V V V

0, 0072 4 ,93727 1374 0.99641 5 5.93368 1380 , OOOOO

4 ,92353 1356 0.99636 5 5.91988 1360 •f OOOOO W V/ W V w 0, 0074 4 ,90997 1337 0.99631 5 5. 90628 1342 , OOOOO

0,0075 4 ,89660 1319 0.99626 5 5.89286 1325 1 ,00000

0- 0076 4 ,88341 1303 0.9962

6 5. 37961 1307 • OOOOO

0. 0077 4 ,87038 1285 0.99615 4 5.86654 1290 .99999

0 - 0078 4 ,85753 1269 0.996 16 5.85354 1276 •OOOOO

on7P 4 ,84484 1253 0-99605 4 5-84089 1257 , 99999

0,0080 4 ,83231 1237 0.99601 5 5.82632 1242 1 •OOOOO

U # V v U X 4 ,81994 1222 0.99596 5 5.81590 1227 • OOOOO

0-. 008 P 4 ,80772 1207 0.99591 5 5.80363 1212 OOOOO U V u w

0 OOft *^ 4 ,79565 1193 0-99586 5 5 - 79 15

*' • 1 7 X X 1 198 11 OOOOO www

O * 0084 4 ,78372 1178 0-9958

5 5 .77953 1184 0 , 99999

0.0085 4 ,77194 1165 0.99576 5 5.76769 1169 1 •OOOOO

V , V w O O 4 ,76029 1151 0-9957 W • 7 7 1 1X 5 5.76600 1 156 0 • 99999

0. 0087 4 ,74878 1138 0.99666 5 5, 74444 1 143 0 • 99999

0. 0088 4<73740 1 125 0.99561 5 5.73301 1130 0 • 99999

0, 0089 4.,72615 1112 0.99556 5 5.72171 1117 0 , 99999

0,0090 4<,71503 1100 0.99551 5 5.71054 1105 1 . OOOOO

0,0091 4<,70403 1086 0.99546 5 5.69949 1093 0 ,99999

0, 0092 4.,69315 1076 0.99541 5 5 .68856 1081 1,, OOOOO

0, 0093 4<,68239 1065 0.99536 5 5 . 67775 1070 0 , 99999

0- 0094 4 ,67174 1053 0.99531 5 5.66705 1058 0 , 99999

0, 0095 4.,66121 1042 0.99526 5 5.65647 1047 0 ,99999

0,0096 4.,65079 1031 0.99521 5 5.64600 1036 0 ,99999

0,0097 4,,64048 1021 0.99516 5 5.63564 1026 1<,00000

0.0098 4<,63027 lOlO 0.99511 5 5.62538 10l5 0 ,99999

0.0099 4.,62017 1000 0.99506 5 5.61523 1005 0 ,99999

0.0100 4.,61017 0.99501 5.60518 0 ,99999

4
Table 1 Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z -(F°-Eo)/RT (H°-Eo)/RT

u A So/R A C^R

0«0100 4.61017 990 0.99501 5 5.60518 995 0. 99999

0.0101 4.60027 981 0.99496 5 5.59523 986 0< 99999

0,0102 4.59046 970 0.99491 5 5.58537 975 0* 99999

0.0103 4.58076 962 0.99486 5 5.57562 967 0< 99999

0.0104 4.57114 951 0.99481 5 5.56595 957 0< 99999

0,0105 4.56163 943 0.99476 5 5.55638 947 w i 99999

0.0106 4.55220 934 0,99471 5 5.54691 939 Ot 99999

0.0107 4.54286 925 0,99466 5 5.53752 930 Ot 99999

0.0108 4.53361 917 0,99461 5 5.52822 922 0. 99999

0.0109 4.52444 908 0,99456 5 5.51900 913 0< 99999

0.0110 4.51536 901 0,99451 5 5.50987 906 0< 99999

0.0111 4.50635 891 0,99446 5 5.50081 896 Oi 99999

0.0112 4.49744 884 0,99441 5 5.49185 889 0< 99999

0.0113 4.48660 876 0,99436 5 5.48296 881 0. 99999

0.0114 4.47984 869 0,99431 5 5.47415 873 0< 99999

0.0115 4.47115 860 0,99426 5 5.46542 866 0« 99999

0.0116 4.46255 854 0,99421 5 5.45676 859 Ot 99999

0.0117 4.45401 846 0.99416 5 5.44817 851 0< 99999

0.0118 4.44555 839 0,99411 5 5.43966 844 Oi 99999

0.0119 4,43716 832 0.99406 5 5.43122 836 0. 99999

0.0120 4,42884 825 0.99401 5 5.42286 830 0< 99999

0.0121 4,42059 818 0.99396 5 5.41456 824 0* 99999

0.0122 4,41241 811 0.99391 5 5.40632 816 Ot 99999

0.0123 4.40430 805 0,99386 5 5.39816 809 0« 99999

0.0124 4,39625 798 0.99381 5 5.39007 804 Ot 99999

0.0125 4,38827 792 0.99376 5 5.38203 796 Ot 99999

0,0126 4,38035 785 0,99371 5 5.37407 791 Ot 99999

0.0127 4,37250 780 0.99366 5 5.36616 784 Ot 99999

0,0128 4,36470 773 0.99361 5 5.35832 779 Ot 99999

0,0129 4,35697 767 0.99356 5 5.35053 772 Ot 99999

0,0130 4,34930 761 0.99351 5 5.34281 766 Ot 99999

0,0131 4,34169 756 0.99346 5 5.33515 760 Ot 99999

0,0132 4,33413 749 0.99341 4 5.32755 755 Ot 99999

0.0133 4,32664 745 0.99337 5 5.32000 749 Ot 99999

0,0134 4,31919 738 0.99332 5 5.31251 744 Ot 99999

0,0135 4,31181 733 0.99327 5 5,30507 738 Ot 99999

0,0136 4,30448 728 0.99322 5 5. '.9769 732 0* 99999

0,0137 4.29720 722 0.99317 5 5.29037 728 Ot 99999

0,0138 4,28998 717 0.99312 5 5.283T9 721 Ot 99998

0,0139 4,28281 712 0.99307 5 5,27588 717 Ot 99999

0,0140 4.27569 707 0.99302 5 5.26871 712 0* 99998

0,0141 4,26862 701 0.99297 5 5.26159 707 Ot 99999

0,0142 4,26161 697 0.99292 5 5.25452 702 Ot 99999

0,0143 4,25464 692 0.99287 5 5.24750 696 Ot 99998

0,0144 4,24772 687 0.99282 5 5.24054 692 0. 99998

0,0145 4,24085 682 0.99277 5 5.23362 688 Ot 99998

0,0146 4,23403 67f 0.99272 5 5.22674 662 Ot 99998

0,0147 4.22725 673 0.99267 5 5.21992 678 Ot 99998

0,0148 4.22052 669 0.99262 5 5.21314 674 0. 99998

0,0149 4.21383 663 0.99257 5 5.20640 668 Ot 99998

0,0150 4.20720 0.99252 5, 19972. Ot 99996
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z -(f°-e°)/rt A (h°-e°)/rt A s°/r A Co/R

P

U « w X «^ U AO AO n(J I? 5 . 1 y y 7 2 663 0,99998

0,0151 4.20060 655 0.99247 5 5.19307 660 0.99998

0*0152 4. 19405 651 0.99242 5 5. 18647 656 0. 99998

0,0153 4, 18754 646 0.99237 5 5, 17991 651 0.99998

0,0154 4,18108 642 0.99232 5 5, 17340 647 0. 99998

0.0155 4.17466 639 0.99227 5 5. 16693 644 0. 99998

0,0156 4. 16827 634 0.99222 5 5. 16049 638 0.99998

0,0157 4.16193 630 0.99217 5 5,15411 635 0. 99998

0,0158 4.15563 625 0.99212 5 5. 14776 631 0.99998

0, 0159 4 . 14938 622 0.99207 5 . 14145 627 0. 99998

0,0160 4.14316 618 0.99202 5 5. 13518 623 0.99998

0,0161 4,13698 615 0.99197 5 5.12895 619 0. 99998

0, 0 162 4 , 13083 610 0.99192 5 5.12276 6 16 0. 99998

0,0163 4, 12473 607 0.99187 5 5. 11660 611 0. 99998

0, 0164 4,11866 603 0.99182 5 5. 11049 608 0. 99998

0, 0165 4, 11263 599 0.99177 5 5. 10441 605 0.99998

0, 0166 4, 10664 596 0.99172 5 5.09836 600 0*99998

0.0167 4, 10068 591 0.99167 5 5.09236 597 0.99998

0,0168 4, 09477 589 0.99162 5 5 ,08639 593 0. 99998

0.0169 4, 08888 585 0.99157 5 5.08046 591 0.99998

0,0170 4,08303 581 0.99152 5 5.07455 586 6.99998

0, 0171 4,07722 579 0.99147 i> 5.06869 583 0* 99998

0,0172 4,07143 5 74 0.99142 4 5 .06286 580 0. 99998

0,0173 4, 06569 572 0.99138 5 5.05706 576 0. 99998

0,0174 4, 05997 568 0.99133 5 5.05130 573 0. 99997

0,0175 4,05429 565 0.99128 5 5.0^557 570 0.99997

0,0176 4, 04864 561 0.99123 5 5.03987 566 0.99997

0,0177 4,04303 55 9 0.99118 5 5. 0342

564 0. 99998

0, 0178 4, 03744 555 0.99113 5 5, 02857 560 0. 99998

0, 0179 4,03189 C C 1 5 5 2 0.99108 5 5.02297 C C T 557 0. 99997

0,0180 4.02637 549 0.99103 5 5.01740 554 0.99997

0.0181 4. 0^:080 3 4 6 0.99098 3 . 0 J- 186 52 1

*-i o o o o ^ 0.0182 4 » 0 i 3 4^: 343 0.99093 5 • 006 35 548 r\ O ("1 n n "7 0. yyy 97

0.0183 4.009 99 540 0.99088 5 5 .00087 545 0. 99997

0.0184 4. 00459 5 37 0.99083 5 4. 99542 542 0. 99997

0.0185 3.99922 534 0.99078 5 4.99000 539 0.99997

0.0186 3,99388 531 0.99073 5 4, 9846

536 0. 99997

0.0187 3.98857 529 0.99068 5 4.97925 534 0. 99997

0,0188 3.98328 525 0.99063 5 4,97391 530 0. 99997

0.0189 3,97803 523 0.99058 5 4,96861 528 0. 99997

0.0190 3.97280 520 0.99053 5 4, 96333 525 0.99997

0.0191 3 .96760 517 0.99048 5 4,95808 522 0. 99997

0.0192 3 .96243 515 0.99043 5 4 , 95286 5 19 0. 99997

0.0193 3 .95728 511 0.99036 5 4, 94767 517 0. 99997

0.0194 3.95217 509 0.99033 5 4, 94250 5 14 0. 99997

0. 0X73 1 Q /. "7 A Q "7 0 . yy 02o /• Q 7 -a A 0 XC n Q Q Q Q *7 0 . y y y y (

0.0196 3.94201 504 0.99023 5 4,93224 509 0.99997

0.0197 3.93697 501 0.99018 5 4,92715 506 0.99997

0,0198 3.93196 499 0.99013 5 4,92209 504 0.99997

0,0199 3.92697 496 0.99008 5 4,91705 501 0.99997

0,02C0 3.92201 0.99003 4,91204 0.99997

6
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z -(f°-e°)/rt A (H°-E°)/RT A s°/r A. A

0, 0200 3,92201 494 0,99003 5 4, 91204 499 0< 99997

0,0201 3,91707 491 0.98998 5 4,90705 496 0< 99997

0.D202 3.91216 48 9 0.98993 4 4, 90209 494 0. 99997

0,0203 3.90727 / O "7 48 / 0.98989 c?

/i 0 1 04.99997

0,0204 3.90240 484 0.98984 c5 4, 89224 489 yj t

, QQ0.Q7

0,0205 3.89756 48 1 0,98979 5 4.88735 487 0«,99997

0,0206 3.89275 480 0,98974 5 4.88248 484 0«99996

0,0207 3.88795 477 0,98969 5 4.87764 482 0«.99997

0, 0208 3.88318 474 0,98964 5 4,87282 *f 0 0 0<.99996

0,0209 2 .87844 473 0,98959 c /. O ^ D 9 4, 608O'!-

y. 7 "7 0 J 99996

0,0210 3.87371 470 0,98954 5 4,86325 475 0. 99996

0,0211 3 ,86901 467 0,98949 5 4,85850 473 Oi 99996

0,0212 3 .86434 466 0,98944 5 4, 85377 470 0. 99996

0,0213 3.85968 463 0,98939 5 4, 84907 469 Oi 99996

0,0214 3,85505 462 0, 98934 c0

/. 0 / /• 0 0 4

84h3o 466 99996

0, 0215 3 .85043 /CO 459 0,98929 c /. Q 0 0 "7 9 4, 839 < ^

/. ^ /. 464 0« 99996

0,0216 3.84584 457 0,98924 5 4,83508 462 0< 99996

0,0217 3.84127 4d4 0,98919 5 4, 83046 459 0< 99996

0,0218 O O O "7 O 3.83673 45 3 0,98914 /.Co 45 8 0< 99996

0, 0219 O O O 9 9 <^ / C 1 0.98909 c 456 99996

0,0220 3 .82769 448 0.98904 5 4.81673 /.Co 453 Oi 99996

0,0221 3.82321 447 0.98899 5 4.81220 452 0< 99996

0,0222 3.81874 444 0.98894 5 4,80768 449 Oi 99996

0,0223 3.8 1430 443 0.98889 5 4.80319 447 0. 99996

0,0224 3 .80987 440 0,98884 5 4.79872 446 0. 99996

0,0225 3 .80347 43 y 0,98879 c5 4. 79426 /. /i 0 443 0« 99996

0,0226 3.80108 436 0.98874 5 4.78983 442 Ot 99996

n n "5 "7 7 O A T 9 f J 3Q Q P A O A 7 ft C* A 1 A*f IS 0 ^y Oi 99996

n A 9 9 ft o 7 O ? CI 7 A*T ,3 ^9 n Q ft p A /i. U • y 0 O 0 *T Zl 7 ft 1 a Zl^ ft Oi 99996

n n 9 5 Q ^ • 1 o o u ^ n Q ft Q U » 7 0 O 7 H

A 1~I (>,f.L, 0 I f OOH A*t J A0 Oi 99996

* 7 R 7^. A Q ft ft R A A IT? OR *T J> J Oi 99996

0,0231 3,77945 427 0.98849 4 4.76795 432 0. 99996

0,0232 3.77518 0,98845 cD 4.76363 43

Oi 99996

0, 0233 3 . / 7093 4Z3 0,98840 c 4. 75932 /.TO 428 Oi 99996

0,0234 '2 T i i "T /^ 3.766 70 /. O 9 422 c5 4. 75504 426 0. 99996

0, 0235 3 . 76248 419 0,98830 5 4. 75078 425 Oi 99995

0,0236 3.75829 418 0,98825 5 4.74653 423 0. 99995

n n 9 "3 "7 •a 7 rZl 1 1 i o

f\ Q ft Q O I>

/i ~l Ik 0 'X r\ /. 9 T Oi 99995

f X z> Q D O 1 C, u • y 0 o i P

c; A 7 ft A Q A. 1 0 0. 99995

n n 9 o J • f O (JZi. 1 9 A O ft ft 1 A U • V o o 1li 1 'X'XKh f\ H • f D Dy Q H i f Oi 99995

0, 0240 a 7ZI 1 A a H i 1 A O ft O A R H • I Cy t D f io Oi 99995

0.0241 3.73757 4o9 0,98800 5 4.72557 414 0. 99995

0, 0242 3.73348 4o8 0,98795 c5 4.72143 413 Oi 99995

0, 0243 3 .72940 405 0,98790 5 4,71730 410 Oi 99995

0, 0244 3,72535 404 0,98785 5 4,71320 409 Oi 99995

0, 0245 3,72131 403 0,98780 5 4,70911 408 Oi 99995

0,0246 3,71728 400 0,98775 5 4.70503 405 Oi 99995

0.0247 3,71328 399 0,98770 5 4. 70098 404 Oi 99995

0,0248 3.70929 398 0,98765 5 4.69694 403 Oi 99995

0.0249 3.70531 396 0,98760 5 4.69291 400 Oi 99995

0,0250 3.70135 0.98755 4.68891 Oi 99995

7
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodjrnamic Functions for Values of X = hcv/kT

T -(po—Eo) /rT

0

A s°/r

0,0250 3.70135 394 0.98755 5 4.68891 400 0.99995

0.0251 3,69741 392 0.98750 5 4.S8491 397 0. 99995

0.0252 3.69349 392 0.98745 5 4.68094 396 0.99995

0.0253 3.68957 389 0.98740 5 4.676'58 395 0.99995

0,0254 3.68568 388 0.98735 5 4.67303 393 0.99995

0.0255 3.68180 386 0.98730 5 4.66910 391 0.99995

0.0256 3.67794 385 0.98725 4 4.66519 390 0.99995

0.0257 3.67409 384 0.98721 5 4.66129 388 0.99995

0.0258 3.67025 382 0.98716 5 4.65741 387 0. 99994

0.0259 3,66643 380 0.98711 5 4.65354 385 0.99995

0.0260 3.66263 379 0.98706 5 4.64969 384 0.99994

0.0261 3.65884 377 0.98701 5 4.64585 383 0.99994

0.0262 3.65507 376 0.98696 5 4.64202 380 0.99994

0.0263 3.65131 375 0.98691 5 4.63822 380 0.99994

0.0264 3.64756 373 0.98686 5 4.63442 378 0.99994

0.0265 3.64383 371 0.98681 5 4.63064 377 0. 99994

0.0266 3.64012 371 0.98676 5 4.62687 375 0.99994

0,0267 3.63641 369 0.98671 5 4.62312 374 0.99994

0,0268 3.63272 367 0.98666 5 4.61938 372 0.99994

0,0269 3.62905 366 0.98661 5 4.61566 371 0.99994

0,0270 3.62539 365 0.98656 5 4.61195 370 0.99994

0,0271 3.62174 363 0.98651 5 4,60825 368 0.99994

0,0272 3.61811 362 0.98646 5 4.60457 367 0.99994

0,0273 3.61449 361 0.98641 5 4.60090 366 0.99994.

0,0274 3.61088 359 0.98636 5 4.59724 364 0.99994

0,0275 3.60729 358 0.98631 5 4.59360 363 0.99994

0,0276 3.60371 357 0.98626 5 4.58997 361 0.99994

0,0277 3.60014 355 0.98621 5 4.58636 361 0.99994

0,0278 3.59659 354 0.98616 4 4.58275 359 0.99994

0,0279 3.59305 353 0.98612 5 4.57916 358 0.99994

0,0280 3.58952 352 0.98607 5 4.57558 356 0.99993

0,0281 3 .58600 350 0.98602 5 4.57202 355 0.99993

0,0282 3.58250 349 0.98597 5 4.56847 354 0.99994

0,0283 3.57901 348 0.98592 5 4.56493 353 0.99993

0,0284 3.57553 346 0.98587 5 4.56140 351 0.99993

0.0285 3.57207 346 0.98582 5 4.55789 351 0.99993

0,0286 3.56861 344 0.98577 5 4,55438 349 0.99993

0.0287 3.56517 342 0.98572 5 4.55C39 347 0.99993

0,0288 3.56175 342 0.98567 5 4. 54742 347 0.99993

0. 0289 3.55833 341 0.98562 5 4.54395 346 0.99993

0,0290 3.55492 339 0.98557 5 4.54049 344 0.99993

0.0291 3.55153 338 0.98552 5 4.53705 343 0.99993

0,0292 3.54815 337 0.98547 5 4.53362 342 0.99993

0.0293 3.54478 336 0.98542 5 4.53020 340 0.99993

0.0294 3.54142 334 0.98537 5 4.52680 340 0.99993

0.0295 3.53808 334 0.98532 5 4.52340 338 0.99993

0.0296 3.53474 332 0.98527 5 4.52002 337 0.99993

0.0297 3.53142 331 0.98522 5 4.51665 337 0.99993

0.0298 3.52811 330 0.98517 5 4.51328 335 0.99993

0.0299 3.52481 329 0.98512 4 4.50993 333 0.99993

0.0300 3.52152 0.98508 4.50660 0.99993

8
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

2

CA a Co/R

3.52152 328 O . 985 n8 5 4. 5o660 333 0.99993

0.0301 3,51824 326 0.98503 5 4.50327 332 Oi,99992

J o 5 4.T . 49995 ^ 7 7 7 ^ 330 J V u Oi 99992

3 • S 1 17? 325 W . 7 O 7 J 5 4.49665 330 J \J Oi 99992

^ • 7 U9H / 3 9 3 ft . Qfl4R ft 5 4.49335 ^ b w Oi 99992

a . CAR 5

^3 ^9 ^2 ft _ Qfi Aft CI 5 4.49ftft7 0« 99992

0,0306 3,50202 322 0.98478 5 4.48679 326 Oi,99992

0.w # n3o7 \j J\J I 3 .49880 320 0.98473 5 4.48353 325 Oi,99992

U # V ^ ^ o 3 .49560 319 0.98468 5 4.48028 324 Oi,99992

u # u ^ u 7 318 V # 7 w "TO J 5 4. 47704 323 Oi,99992

u • U J J> u 3 .48923 317 0.98458 5 4.47381 322 Oi 99992

0.0311 3.48606 316 0.98453 5 4.'f7059 321 0«,99992

315 J X a' ft . Q844fi 5 4. 467 38 320 3 1 u ft* 99992

3 .479 7'i J3 X14^ ftU .. QA44'^ 70^*T J 5 4. 4641

^319X 7 Oi 99992

3J X1 3J ft. 9fl43fl W . 7 O *t J O 5 4.. 46ft99 "T W V 7 7 ^ X o Oi 99992

3 .47348 312 0.98433 5 4,45781 317 Oi 999^2

0.0316 3.47036 311 0.98428 5 4.45464 316 Oi 99992

3.46725 310 0.98423 5 4,45 146 315 Oi 99992

w . y X o 3 .464 15 309 0.98418 4 4,44833 314 Oi 99992

U . w 7 3 .46106 308 0 , 98414 5 4,44519 313 Oi 99992

f) n3P ft 3.45798 3ft7 0.984ft9 4.44206 312 Oi 99992

0.0321 3.45491 306 0.98404 5 4,43894 311 Oi 99991

u . u <^ ^ 3 .45185 3 06V V 0.98 W # 7 W 399 ^ 7 7 5 4,43583 310 ^ X w ft. W

99991 7 7 7 7 A

ft ft3?3 3 .448 79 3n4 n * 98 394 5 4.43273 309V 7 Oi 99991

n n3?4 ^ • tt*.' f ^ 3ft3 3 U J r» - 9ft 389 5 4.42964 3o8 •/ y o Oi 99991

* 44? 77 3ft2 ftU •- Qfl 7 O 3ft ^ O 4*T 5 4^ 42A5& 3ft7 Oi 99991

0,0326 3.43970 301 0,98379 5 4,42349 306 Oi 99991

ft. ft3?7 3 .43669 3ft 1 0-98374 5 4, 42043 306 OiW I 99991

0.0328 3 .43368 299 0.98369 5 4,41737 304 Oi 99991

0. 0329 3 .43069 299 0,98364 5 4,41433 304 Oi 99991

0« 033 D 3 .42770 297 0,98359 5 4,41129 302 Oi 99991

0,0331 3,42473 297 0,98354 5 4,40827 302 Oi 99991

U • \J -J J u 3 .42 1 76 296 0.98349 V , 7 W J "T 7 5 4.40525 301 Oi 99991

ft ft 3 ^ • *T X o o u t 7 OV ., 9ft 7 O J344*T*T 5 4« 4n 2 24 fa2997 7 Oi 99991

ft ft 3 34 3 _ 41585 294 O. 98339 5 4- 39925 299 Oi 99991

ft ft335 *4 1 ?q 1 293 fc. 7 ^ 0.9fi334 4« 39^^2f» fa2987 U Oi 99991

0,0336 3,40998 292 0,98329 5 4,39328 298 0« 99991

0.0337 3,40706 291 0,98 324 4, 39030 296 Oi 99991

ft. 0338 3,40415 291 0.98320 W # ^ ^ Cm \J 5 4, 38734 295 Oi 99991

0,0339 3,40124 289 0,98315 5 4, 38439 295 Oi 99990

0. 03^0 3,39835 289 0,98310 5 4, 38144 293 Oi 99990

0,0341 3,39546 288 0,98305 5 4,37851 293 Oi 99990

0. 0342 3 ,39258 287 0.983 Oft 5 4.37658 292 Oi 99990

Q« 0343 3 .38971 286 0,98295 5 4,37266 291 Oi 99990

3.38685 285 0.98290 5 4, 36975 29 0 Oi 99990

^ 4 ^ O ~ W w 285 n * 9ft 2ft 5 5 4. 36635 29ft 7 u Oi 99990

0,0346 3.38115 283 0,98280 5 4,36395 288 Oi 99990

0,0347 3.37832 283 0.98275 5 4,36107 288 04,99990

0,0348 3.37549 282 0,98270 5 4,35819 287 Oi 99990

0,0349 3.37267 281 0.98265 5 4,35532 286 Oi 99990

0,0350 3,36986 0.98260 4,35246 Oi 99990

638951 O - 62 - 2 9
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

YA

A

Li A

IS o / rl A C^R

0,0350 3,36986 281 0.98260 5

' 4.35246 285 Oi o o O r* /\

> yyy 90

0,0351 3,36705 279 0.98255 5 4.34961 285 t 99990

0.0352 3.36426 279 0.98250 5 4.34676 284 0<» 99990

0.0353 3,36147 278 0.98245 5 4,34392 282 0., 99990

0,0354 3,35869 277 0.98240 4 4,34110 282 0 » 99990

0,0355 3.35592 276 0.98236 5 4.33828 282 0<(99990

0.0356 3.35316 276 0.98231 5 4. 33546 280 0<, 99989

0,0357 3.35040 275 0.98226 5 4.33266 280 0,1 99989

0.0358 3.34765 274 0.98221 5 4.32986 279 0<1 99989

0,0359 3.34491 273 0.98216 5 4.32707 278 0 , 99989

0,0360 3.34218 111 0.98211 5 4,32429 277 0<1 99989

0,0361 3.33946 272 0.98206 5 4.32152 111 0 99989

0,0362 3.33674 271 0.98201 5 4.31875 276 0<, 99989

0,0363 3.33403 270 0.98196 5 4.31599 275 0.,99989

0,0364 3.33133 269 0.98191 5 4.31324 274 Oi,99989

0.0365 3.32864 269 0.98186 5 4.31050 274 , 99989

0,0366 3.32595 268 0.98181 5 4.30776 273 ,99989

0,0367 3.32327 267 0.98176 5 4.30503 272 , 99989

0.0368 3.32060 266 0.98171 5 4.30231 271 0.,99989

0,0369 3,31794 266 0.98166 5 4.29960 270 0., 99989

0,0370 3.31528 265 0.98161 5 4.29690 270 , 99989

0,0371 3.31263 264 0.98156 4 4. ?9420 270 , 99989

0,0372 3.30999 264 0.98152 5 4.29150 268 0<, 99989

0,0373 3.30735 262 0.98147 5 4.28832 268 0. 99988

0,0374 3.30.4 73 262 0.98142 5 4.28614 Zbl 0< 99988

0.0375 3.30211 262 0.98137 5 4.28247 266 Oi 99988

0.0376 3.29949 260 0.98132 5 4.28081 266 0« 99988

0.0377 3.29689 260 0.98127 5 4.27815 264 Ot 99988

0,0378 3.29429 260 0.98122 5 4.27551 265 0« 99988

0,0379 3.29169 258 0.98117 5 4.27286 263 Oi 99988

0,0380 3.28911 258 0.98112 5 4.27023 263 Qt 99988

0,0381 3.28653 257 0.98107 5 4.26760 262 Oi 99988

0,0382 3.28396 257 0.98102 5 4.26498 261 99988

0,0383 3.28139 255 0.98097 5 4.26237 261 0« 99988

0,0384 3.27884 255 0.98092 5 4.25976 260 0. 99988

0,0385 3,27629 255 0.98087 5 4.25716 260 Oi 99988

0,0386 3,27374 254 0.98082 5 4.25456 258 Oi 99988

0.0387 3,27120 253 0.98077 4 4.25198 258 Oi 99988

0,0388 3,26867 252 0.98073 5 4.24940 258 0. 99988

0,0389 3.26615 252 0.98068 5 4.24682 256 Oi 99987

0,0390 3.26363 251 0.98063 5 4.24426 256 0« 99987

0,0391 3.26112 251 0.98058 5 4.24170 256 Oi 99987

0,0392 -3.25861 249 0.98053 5 4.23914 254 Oi 99987

0, 0393 3.25612 250 0.98048 5 4.23660 255 Oi 99987

0,0394 3.25362 248 0.98043 5 4.23405 253 0. 99987

0,0395 3.25114 248 0.98038 5 4.23152 253 0« 99987

0,0396 3.24866 247 0.98033 5 4.22899 252 0. 99987

0,0397 3.24619 247 0.98028 5 4.22647 252 0* 99987

0,0398 3.24372 246 0.98023 5 4.22395 250 0. 99987

0.0399 3.24126 245 0.98018 5 4.22145 251 0. 99987

0,0400 3.23881 0.98013 4.21894 0. 99987

10
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z -(F0-E°)/RT

u A (h°-e°)/rt

u A So/R A C^R

0,0400 3,23881 245 0.98013 5 4. 21894 249 0 ,99987

0,0^01 3,23636 244 0.98008 5 4.21645 249 0<99987

0,0402 3,23392 243 0.98003 4 4.21396 249 0.,99987

0,0403 3.23149 243 0.97999 5 4.21147 248 0«,99987

0.0404 3.22906 242 0.97994 5 4.20899 247 0< O Q O Q Z

1 7 7 V O O

0,0405 3.22664 242 0.97989 5 4.20652 246 0<,99986

0,0406 3,22422 241 0.97984 5 4.20406 246 0.,99986

0,0407 3,22181 241 0.97979 5 4.20160 246 0.,99986

0,0408 3,21940 239 0.97974 5 4. 19914 244 0.,99986

0,0409 3,21701 240 0.97969 5 4. 19670 245 , 99986

0,0410 3,21461 238 0.97964 5 4. 19425 243 0.,99986

0,0411 3.21223 238 0.97959 5 4. 19182 243 0<,99986

0.0412 3.20985 238 0.97954 5 4. 18939 243 0.,99986

0, 0413 3.20747 237 0. 97949 5 4. 18696 241 0<.99986

0, 0'+14 3.20510 236 0.97944 5 4. 18455 242 , 99986

0,0415 3,20274 236 0.97939 5 4.18213 240 0..99986

0,0416 3,20038 235 0.97934 4 4.17973 240 0.,99986

0,0417 3, 19803 234 0.97930 5 4, 17733 240 0..99986

0.0418 3.19569 234 0.97925 5 4. 17493 239 0«.99985

0,0419 3,19335 234 0.97920 5 4, 17254 238 U 1

1 7 7 7 o 0,0420 3,19101 233 0.97915 5 4.17016 238 0<,99985

0.0421 3,18868 232 0.97910 5 4. 16778 237 0.,99985

0,0^22 3, 18636 232 0.97905 5 4. 16541 237 0«,99985

0,0423 3,18404 231 0.97900 5 4,16304 236 0.,99985

0,0424 3,18173 230 0.97895 5 4.16068 235 . qoQOc; . 7 7 7 0^

0,0^25 3,17943 23o 0.97890 5 4.15833 235 0«.99985

0,0426 3,17713 230 0.97885 5 4.15598 235 0«.99985

0,0427 3 ,17483 229 0.97880 5 4. 15363 234 0. 99985

0,0428 3, 17254 228 0.97875 5 4. 15129 233 Oi 99985

0,0429 3,17026 228 0.97870 5 4. 14896 233 u < 7 7 7 O

0,0430 3,16798 228 0,97865 5 4. 14663 232 0. 99985

0,0431 3,16570 226 0.97860 4 4,14431 232 0< 99985

0,0432 3 , 16344 227 0.97856 5 4. 14199 23], 0. 99984

0,0433 3, 16117 225 0.97851 5 4. 13938 231 99984

0,0434 3.15892 225 0.97846 5 4, 13737 230 99984

0,0435 3 .15667 225 0.97841 5 4. 13507 229 0« 99984

0.0436 3.15442 224 0.97836 5 4. 13278 229 0. 99984

0,043" 3 .15218 224 0.97831 r- 3 4. 13049 229 0. 99984

0,0431 3 ,14994 223 0.97826 c0 4.12820 228 0. 99984

0,043'- 3,14771 223 0.97821 4. 12592 227 Oa 99984

0,0440 3 , 14548 222 0.97816 5 4. 12365 227 0« 99984

0,0441 3,14326 221 0.97811 5 4.12138 227 Oi 99984

0,0442 3,14105 221 0.97806 5 4. 11911 226 0. 99984

0,0443 3, 13884 221 0.97801 5 4. 11685 225 Oi 99984

0, 0444 3 . 13663 220 0.97796 4 4. 1 1460 225 0« 99984

0,0445 3 .13443 219 0.97792 5 4. 11235 225 0« 99983

0,0446 3,13224 219 0.97787 5 4.11010 224 0. 99983

0,0447 3,13005 219 0.97782 5 4. 10786 223 0..99983

0,0448 3,12786 218 0.97777 5 4.10563 223 0..99983

0,0449 3,12568 217 0.97772 5 4. 10340 222 0< 99983

0,0450 3,12351 0.97767 4.10118 0< 99983

11
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Fimctions for Values of X = hcv/kT

X _(Fo_Eo)/rT

U

A (HO-Eo)/rT

U

So/R A cVr

p

/^ n /> A o» O'fs 0

S> 1 "7

c. L 1 \J 1 /Of 9 9 5 U . 7 7 7 0 3

0,0451 3.12134 217 0.97762 5 4.09896 222 0.99983

0,0^52 3,11917 216 0.97757 5 4. 09674 221 0.99983

0,0^53 3, 11701 215 0.97752 5 4.09453 220 0,99983

0» 0'^54 3,1 1486 215 0.97747 5 4.09233 220 0.99983

0* 0455 3.11271 215 0.97742 5 4,09013 220 0.99983

0« 0456 3, 11056 214 0,97737 5 4.08793 219 0* 99983

0,0457 3. 10842 214 0.97732 4 4,08574 218 0. 99983

0, 0458 3. 10628 213 0.97728 5 4.08356 218 0. 99983

0, 0459 3.10415 212 0.97723 5 4. 08138 218 0.99982

0, 0460 3. 10203 213 0.97718 5 4.07920 217 0*99982

0,0461 3,09990 211 0.97713 5 4, 07703 217 Q, 99982

0,0462 3,09779 212 0.97708 5 4.07486 216 0.99982

0,0463 3.09567 210 0.97703 5 4.07270 215 0.99982

0,0464 3.09357 211 0.97698 5 4.07055 216 0.99982

0, 0465 3.09146 210 0.97693 5 4.06839 214 0.99982

0,0466 3,08936 209 0.97688 5 4.06625 215 0.99982

0,0467 3,08727 209 0.97683 5 4.06410 214 0*99982

0,0468 3*08518 208 0.97678 5 4.06196 213 0.99982

0,0469 3,08310 208 0.97673 5 4,05983 213 0*99982

0,0470 3.08102 208 0.97668 4 4,05770 213 0,99982

0,0471 3,07894 207 0,97664 5 4,05558 212 0.99982

0, 0472 3 , 07687 2o7 0^97659 c,D 4,05345 211 0. 99981

0, 0473 3 , 07480 206 0,97654 5 4, 05134 211 0*99981

0,0 '»74 3,07274 206 0.97649 5 4,04923 211 0*99981

0,0475 3.07068 205 0.97644 5 4,04712 210 0.99981

0,0476 3,06863 205 0,97639 5 4,o45o2 210 0.99981

0,0477 3,06658 205 0.97634 5 4,04292 209 0* 99981

0,0478 3,06453 204 0.97629 5 4,04083 209 0*99981

0, 0479 3 ,06249 2o3 0.97624 5 4,03874 209 0. 99981

0,0480 3,06046 2o3 0.97619 5 4,03665 208 0*99981

0,0481 3.05843 203 0.97614 5 4,03457 208 0* 99981

0,0482 3.05640 2o2 0.97609 4.03249 207 0* 99981

0, 0483 3.05438 2o2 0.97604 4 4, 03042 207 0. 99981

0,0484 3.05236 2o2 0.97600 5 4,02835 206 0* 99980

0,0485 3.05034 201 0.97595 5 4,02629 206 0*99980

0, 0486 3.04833 200 0.97590 5 4,02423 205 0* 99980

0,0487 3.04633 200 0.97585 5 4,02218 206 0*99980

0,0488 3.04433 200 0.97580 5 4,02012 204 0*99980

0,0489 3.04233 200 0,97575 5 4, 01808 205 0*99980

0,0490 3.04033 198 0.97570 5 4,01603 203 0*99980

0,0491 3.03835 199 0.97565 5 4, 01400 204 0. 99980

0,0492 3.03636 198 0.97560 5 4,01196 203 0* 99980

0,0493 3.03438 198 0.97555 5 4,00993 202 0* 99980

0,0494 3.03240 197 0.97550 5 4,00791 203 0* 99980

0, 0495 3.03043 197 0.97545 /. 4, 00588 201 0* 99980

0,0496 3,02846 196 0.97541 5 4,00387 202 0*99980

0,0497 3,02650 196 0.97536 5 4.00165 201 0*99979

0,0498 3,02454 196 0.97531 5 3,99984 200 0*99979

0,0499 3,02258 195 0.97526 5 3.99784 200 0*99979

0,0500 3.02063 0.97521 3.99584 0*99979

12
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z _(po_Eo)/RT A (HO-Eo)/RT

u L So/R & CVr

p

0.0500 3.02063 195 0.97521 5 3.99584 200 0<( 99979

0,0501 3.01868 194 0.97516 5 3.99384 199 0<,99979

0.0502 3.01674 195 0.97511 5 3.99185 199 0<(99979

0.0503 3.01480 193 0.97506 5 3.98986 199 0<» 99979

0.0504 3.01286 193 0.97501 5 3.98787 198 0«.99979

0.0505 3.01093 193 0.97496 5 3.98589 198 Oi.99979

0.0506 3.00900 193 0.97491 5 3.98391 197 Oi.99979

0.0507 3.00707 192 0.97486 4 3.98194 197 Oi 99979

0.0508 3.00515 192 0.97482 6 3.97997 197 Oi 99979

0.0509 3.00323 191 0.97477 5 3.97800 196 0«. 99978

0.0510 3.00132 191 0.97472 5 3.97604 196 Oi 99978

0.0511 2,99941 190 0.97467 5 3.97408 195 Oi.99978

0.0512 2.99751 191 0.97462 5 3.97213 196 Oi.99978

0.0513 2.99560 189 0.97457 5 3.97017 194 Oi.99978

0.0514 2.99371 190 0.97462 5 3.96823 195 Oi.99978

0.0515 2.99181 189 0.97447 5 3.96628 194 0«.99978

0.0516 2.98992 188 0.97442 5 3.96434 193 Oi.99978

0.0517 2.98804 189 0.97437 5 3.96241 193 Oi.99978

0.0518 2,98615 188 0.97432 5 3.96048 193 Oi 99978

0.0519 2,98427 187 0.97427 4 3.95855 193 Oi.99978

0.0520 2.98240 187 0.97423 5 3.95662 192 Oi 99978

0.0521 2.98053 187 0.97418 5 3.95470 191 Oi 99977

0.0522 2.97866 186 0.97413 5 3.95279 192 Oi 99977

0.0523 2,97680 187 0.97408 5 3,95087 191 0. 99977

0.0524 2.97493 185 0.97403 5 3.94896 190 Oi 99977

0.0525 2 .97308 186 0.97398 5 3.94706 191 Oi 99977

0.0526 2.97122 185 0.97393 5 3.94515 189 Oi.99977

0.0527 2,96937 184 0.97388 5 3.94326 190 Oi 99977

0.0528 2,96753 184 0.97383 5 3.94136 189 Oi 99977

0.0529 2 .96569 184 0,97378 3. 93947 189 Oi 99977

0.0530 2.96385 184 0.97373 3.93758 188 Oi 99977

0.0531 2,96201 183 0.97369 5 3.93570 188 Oi.99977

0.0532 2.96018 183 0.97364 5 3.93382 188 Oi.99976

0.0533 2.95835 182 0.97359 5 3.93194 188 Oi.99976

0.0534 2.95653 183 0.97354 5 3.93006 187 Oi.99976

0.0535 2,95470 181 0.97349 5 3. 92819 186 Oi. 99976

0.0536 2.95289 182 0.9734^ 5 3.92633 187 Oi.99976

0.0537 2.95107 18

0.97339 5 3.92446 186 Oi. 99976

0. 0538 2 .94926 181 0.97334 5 3. 92260 185 Oi 99976

0-. 0539 2 ,94745 180 0.97329 5 3.92075 186 Oi 99976

0.0540 2 ,94565 180 0.97324 5 3. 91889 toe 185 Oi 99976

0.0541 2,-94385 180 0.97319 5 3.91704 184 Oi 99976

0.0542 2,94205 179 0.97314 4 3.91520 185 Oi.99976

0.0543 2,94026 179 0.97310 5 3.91335 184 Oi. 99975

0.0544 2,93847 179 0.97305 5 3.91151 183 Oi 99975

0. 0545 2,93668 178 0.97300 5 3.90968 183 Oi 99975

0,0546 2,93490 178 0.97295 5 3.90785 183 Oi.99975

0.0547 2,93312 178 0.97290 5 3.90602 183 Oi.99975

0,0548 2,93134 177 0.97285 5 3.90419 162 Oi.99975

0,0549 2,92957 177 0.97280 5 3.90237 182 Oi.99975

0,0550 2,92780 0.97275 3.90055 Oi.99975

13
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

T _f— FO——po") jLq;//rtni LiA A

li CO /"D A. a C°/R

0.0550 2.92780 ni 0.97275 5 3.90055 182 0.99975

176 0.97270 5 3 • 89873 181 0. 99975

0-0552 2.92427 177 0.97265 5 3, 89692 181 0. 99975

w u w 2.92250 175 0.97260 4 3.85511 • O ^ ^ X X 181 X W X n. 99975

u # u ^ 2.92075 176 0.97256 5 -J • O 7 «^ _^ V 180 0 . 999 74

0.0555 2.91899 175 0.97251 5 3.89150 180 0.99974

W . U w ? .<? 1 724 5 180 X U V O. 99974

2 .91550 175 0.97?41 3 . 88790 179 0.U • 99974 7 7 7 ( "T 0. 0558 2.91375 174 0.97236 5 3.88611 179 0. 99974

0. 0559 2.91201 174 0.97231 5 3. 88432 179 0. 99974

0,0560 2.91027 173 0.97226 5 3.88253 178

0.056

2.90854 173 0.97221 5 3.88075 178 0. 99974

0.0562 2.90681 173 0,97216 5 3.87897 178 0, 99974

w# u** o J 2 . 905 n8 173 X f ^ 3-87719 •'•Of 1 .7 XII 177 o.\J m 99974 7 7 7 1 *T

£. • 7 U J/ ^ X r ^ r\^Q7 7 ft7 5 J % O 1 i' *Tfc X1 771 1 ft. 99974

0,0565 2,90163 172 0.97202 5 3.87365 177 0.99973

U. 0300 # o 7 7 7 i n Q7 1 07 U • 7 ' X 7 f J m O 1 loo 1 7 A. X f O 0.777 1 J 0. 0367 O O O Q O A

0 # y / iy -> ^ o *7 1 O 17 7 X f 7 0. 7777 3

0. 03OO 1 7n A Q 7 1 Q 7 o • 0OO35 1 7 £, X / O

Q OQ "7 ^ 0. 777 / J 0. OdoV ^ • O 7*T / O 17 1 0 • y ' xo ^

3 Q A A Q 1 7 £^ n QQ Q "7 0. 777 1 J 0.0570 2.89307 170 0.97177 5 3.86484 175 0.99973

n57

2.89137 170 X f w 0.97172 5 3 . 86309 X1751 J O.O . 99973 7 7 7 r ^ 0. 0572 2 .88967 170 0.97167 5 3.86134 175 0. 99973

0. 0573 2.88797 170 0.97162 5 3 . 85959 174 0. 99973

0. 0574 2.88627 169 0.97157 4 3 .85785 174 0. 99973

0,0575 2.88458 169 0.97153 5 3.85611 174 0.99972

0.0576 2 .88289 168 0.97148 5 3.85437 173 0. 99972

0,0577 2.88121 168 0.97143 3. 85264 173 0. 99972

0. 0578 2.87953 168 0.97138 5 3.85091 173 0. 99972

0. 0579 2.87785 168 0.97133 5 3. 34918 173 0. 99972

0,0580 2.87617 167 0.97128 5 3.84745 172 0.99972

0.0581 2 .87450 167 0.97123 5 3.84573 172 0. 99972

0,0582 2 .87283 167 0.97118 5 3.84401 172 0. 99972

0,0583 2.87116 166 0.97113 5 3.84229 171 0.99972

0, 0584 2 ,86950 166 0.97108 4 3.84058 171 0. 99972

0,0585 2,86784 166 0.97104 5 3.83887 171 0.99971

0. 0586 2 .86618 166 0.97099 5 3.83716 170 X t \J 0.99971

0, 0587 2,86452 165 0.97094 5 3.83546 170 0« 99971

0. 0588 2.86287 165 0.97089 5 3.83376 170 X f V 0. 99971

2 .86122 X W ^ 0V *97n84 V ' ' V V "T 5 3. 83206 170 X 1 \J 0, 9997

0,0590 2,85957 164 0.97079 5 3.83036 169 0.99971

0,0591 2,85793 164 0.97074 5 3.82867 169 0. 99971

0.0592 2 ,85629 164 0.97069 5 3 . 82698 169 0* 9997

0* n593 2.85465 164 0.97064 5 3.82529 168 0. 99971

0 A n594 2.85301 163 0.97059 4 3.82361 168 0. 99971

0,0595 2,85138 163 0.97055 5 3.82193 168 0.99971

0,0596 2,84975 163 0.97050 5 3.82025 168 0.99970

0.0597 2,84812 162 0.97045 5 3.81857 167 0.99970

0,0598 2,84650 162 0.97040 5 3.81690 167 0. 99970

0.0599 2,84488 162 0.97035 5 3.81523 167 0.99970

0,0600 2,84326 0.97030 3.81356 0.99970

14
Table I; Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

VA{ UO T?0 "\ /"R T O / It A ro /ti

0,0600 2,84326 162 0.97030 5 3.81356 166 0.99970

0»060l 2,84165 161 0.97025 5 3.81190 167 0» 99970

0,0602 2.84003 161 0.97020 5 3.81023 166 0.99970

0,0603 2,83842 161 0.97015 5 3.80857 165 0.99970

0,0604 2,83681 160 0.97010 5 3.80692 166 0*99970

0,0605 2,83521 160 0.97005 3.80526 165 0.99969

0,0606 2,83361 160 0.97001 5 3.80361 165 0.99969

0,0607 2, 83201 160 0.96996 5 3,80196 164 0.99969

0,0608 2,83041 159 0.96991 5 3.80032 164 0.99969

0,0609 2,82882 159 0.96986 5 3.79868 164 0.99969

0,0610 2.82723 159 0.96981 5 3,79704 164 0.99969

0,0611 2.82564 159 0.96976 5 3.79540 164 0.99969

0,0612 2.82405 158 0.96971 5 3.79376 163 0.99969

0,0613 2.82247 158 0.96966 5 3.79213 163 0.99969

0.0614 2.82089 158 0.96961 4 3.79050 162 0.99969

0,0613 2.81931 157 0.96957 5 3.78888 163 0.99969

0,0616 2.81774 158 0.96952 5 3.78725 162 0.99968

0,0617 2.81616 157 0.96947 5 3.78563 162 0.99968

0,0618 2.81459 156 0.96942 5 3.78401 162 0.99968

0,0619 2.81303 157 0.96937 5 3.78239 161 0.99968

0,062c 2.81146 156 0.96932 5 3.78078 161 0.99968

0,0621 2.80990 156 0.96927 5 3.77917 161 0.99968

0,0622 2.80834 156 0.96922 5 3.77756 160 0.99968

0,0623 2.80678 155 0.96917 5 3.77596 161 0.99968

0,0624 2.80523 155 0.96912 4 3.77435 160 0.99968

0,0625 2,80368 155 0.96908 5 3.77275 160 0.99967

0,0626 2,80213 155 0.96903 5 3.77115 159 0.99967

0,0627 2.80058 154 0.96898 5 3.76956 160 0.99967

0,0628 2,79904 155 0.96893 5 3.76796 159 0.99967

0,0629 2,79749 153 0.96888 5 3.76637 158 0.99967

0,0630 2,79596 154 0.96883 5 3.76479 159 0.99967

0,0631 2,79442 154 0.96878 5 3.76320 158 0.99967

0,0632 2,79288 153 0.96873 5 3.76162 158 0.99967

0,0633 2,79135 153 0.96868 4 3,76004 158 0.99967

0,0634 2,78982 152 0.96864 5 3,75846 158 0.99967

0,0635 2,78830 153 0.96859 5 3,75688 157 0.99966

0,0636 2,78677 152 0.96854 5 3,75531 157 0.99966

0,0637 2,78525 152 0.96849 5 3,75374 157 0.99966

0,0638 2,78373 151 0.96844 5 3,75217 156 0.99966

0,0639 2,78222 152 0.96839 5 3,75061 157 0.99966

0,0640 2,78070 151 0.96834 5 3,74904 156 0.99966

0,0641 2,77919 151 0.96829 5 3,74748 156 0.99966

0,0642 2.77768 151 0.96824 5 3,74592 155 0.99966

0,0643 2,77617 150 0.96619 4 3,74437 156 0.99966

0,0644 2,77467 150 0.96815 5 3,74281 155 0.99965

0,0645 2,77317 150 0.96810 5 3,74126 155 0.99965

0,0646 2,77167 150 0.96805 5 3,73971 154 0.99965

0,0647 2,77017 150 0.96800 5 3,73817 165 0.99965

0,0648 2,76867 149 0.96795 5 3,73662 154 0.99965

0.0649 2,76718 149 0.96790 5 3,73508 154 0.99965

0,0650 2.76569 0.96785 3,73354 0.99965

15
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

X _(Fo_eo)/rt

u A (HO-Eo)/RTu A A cVr

p

1 AO U • 70 f O

J* f 353*r 0* >>»63

2*76420 148 0.96780 5 3*73201 154 0*99965

0*0632 2 *7627Z 148 0.96775 4 3*73047 153 0* 99965

0*0653 2 *76124 149 0.96771 5 3*72894 153 0*99964

0*065^ 2*75975 147 0.96766 5 3*72741 153 0*99964

0*0635 2*75828 148 0.96761 5 3*72588 152 0*99964

0*0656 2* A5680 147 0.96756 5 3*72436 152 0« 99964

0*0657 2*75533 147 0.96751 5 3*72284 152 0*99964

0*0658 2*75386 147 0.96746 5 3*72132 152 0*99964

0,0659 2*75239 147 0.96741 5 3*71980 152 0*99964

0*0660 2*75092 147 0.96736 5 3*71828 151 0*99964

0*0661 2 *74945 146 0.96731 4 3*71677 151 0*99964

0* 0662 O 7 A ? OO i*»-o 0*96727 c9 3*71526 151 0*99964

0* 0663 o T y> C3 0.96722 c 3* 7 1375 151 A AAA ^ ^ 0*99963

0* OOOH C% 1 *»3 0 1 0 . "6 1 i. 1 c9 3*7122*^ IsO 0* 79963

0*0665 145 0.96712 5 3*71074 150 0*99963

0* 0666 2*74217 145 0.96707 5 3*70924 150 0*99963

0*0667 2,74072 145 0.96702 5 3*70774 150 0*99963

0*0668 2,73927 145 0.96697 5 3*70624 150 0*99963

0*0669 2*73782 144 0.96692 5 3*70474 149 0*99963

0*0670 2*73638 145 0*96687 4 3*70325 149 0*99963

0*0671 2*73493 144 0*96683 i 3.70176 149 0*99963

0*0672 2*73349 143 0*96678 5 3.70027 149 0*99962

0.0673 2*73206 144 0*96673 5 3.69878 148 0*99962

0,0674 2 •73062 143 0*96668 5 3.69730 148 0*99962

0*0675 2*72919 143 0*96663 5 3.69582 148 0*99962

0,0676 2*72776 143 0*96658 5 3.69434 148 0*99962

0*0677 2*72633 143 0.96653 5 3.69286 148 0*99962

0* 0678 2*72490 142 0.96648 5 3.69138 147 0*99962

0*0679 2*72348 143 0.96643 4 3.68991 147 0*99962

0*0680 2*72205 142 0.96639 5 3*68644 147 0*99961

0* 0681 2*72063 141 0.96634 5 3.68697 147 0*99961

0*0682 2*71922 142 0.96629 5 3.68550 146 0*99961

0*0683 2,71780 141 0.96624 5 3*68404 146 0*99961

0* 0684 2*71639 141 0.96619 5 3*68258 146 0*99961

0*0685 2.71498 141 0.96614 5 3.68112 146 0*99961

0*0686 2*71357 141 0.96609 5 3.67966 146 0*99961

0*0687 2*71216 141 0.96604 5 3*67820 145 0*99961

0*0688 2*71075 140 0.96599 4 3.67675 145 0*99961

0*0689 2*70935 140 0.96595 5 3*67530 145 0*99960

0*0690 2.70795 140 0.96590 5 3.67385 145 0*99960

0*0691 2.70655 140 0.96585 5 3.67240 145 0*99960

0*0692 2.70515 139 0.96580 5 3.67095 144 0*99960

0*0693 2.70376 139 0*96575 5 3.66951 144 0*99960

0*0694 2*70237 139 0*96570 5 3.66807 144 0*99960

P*0695 2*70098 139 0.96565 5 3.66663 144 0*99960

0*0696 2*69959 139 0.96560 4 3*66519 143 0*99960

0*0697 2*69820 138 0.96556 5 3*66376 144 0*99960

0*0698 2*69682 138 0.96551 5 3*66232 143 0*99959

0*0699 2*69544 136 0*96546 5 3*66089 143 0*99959

0*0700 2*69406 0.96541 3*65946 0*99959

16
Table I i Harmonic Oscillator Contributions (in dimensionless form) to the

I Thermodynamic Functions for Values of X = hcv/kT

z _(Fo_eo)/rt

U

A (H0-E°)/RT

U A So/R A cVr

p

0,0700 2.69406 138 0,96541 5 3,65946 142 0*99959

0,0701 2,69268 138 0,96536 5 3,65604 143 0*99959'

0,0702 2,69130 137 0,96531 5 3,65661 142 0.99959

0,0703 2 ,68993 137 0,96526 5 3,65519 142 0*99959

0,0704 2*68856 137 0,96521 5 3,65377 142 0*99959

0,0705 2,68719 137 0,96516 4 3.65235 142 0*99959

0,0706 2,68582 137 0,96512 5 3,65093 141 0*99959

0,0707 2 ,68445 136 0,96507 5 3,64952 141 0*99958

0, 0708 2 ,68309 136 0,96502 c 3,64811 142 A AAA e A 0*99958

0,0709 2 •ooi73 136 0,96497 c9

O Z /. Z^ £ O 3,64669 1 A A 140 A AA a c a 0*99958

0,0710 2 ,68037 136 0,96492 c9 3,64529 141 A AAA e a 0. 99958

0,0711 2,67901 136 0,96487 5 3,64388 141 0*99958

0,0712 2,67765 135 0,96482 5 3,64247 140 0*99956

0,0713 2 ,67630 135 0,96477 5 3.64107 140 0*99958

0,0714 2 ,67495 136 0,96472 4 3,63967 14o 0*99958

0,0715 2 ,67359 134 0,96468 5 3,63827 140 0*99957

0,0716 2,67225 135 0,96463 5 3,63687 139 0*99957

0,0717 2,67090 134 0,96458 5 3.63548 139 0*99957

0,0718 2,66956 135 0,96453 5 3,63409 140 0*99957

0,0719 2,66821 134 0,96448 5 3*63269 139 0*99957

0,0720 2,66687 134 0,96443 5 3.63130 138 0*99957

0,0721 2,66553 133 0.96438 5 3.62992 139 0*99957

0,0722 2 ,66420 134 0,96433 /, '^ 3.62853 138 0*99957

0, 0723 2 ,66286 loo 133 0,96429 5 3,62715 138 0*99956

0,0724 2 ,66153 133 0,96424 5 3.62577 138 0*99956

0,0725 2 ,66020 133 0.96419 5 3.62439 138 0*99956

0,0726 2,65887 133 0,96414 5 3,62301 138 0*99956

0,0727 2,65754 132 0,96409 5 3,62163 137 0*99956

0,0728 2,65622 TOO 132 0,96404 3,62036 137 0*99956

0,0729 2 ,65490 133 0,96399 5 3,61889 137 0*99956

0,073o 2,65357 132 0,96394 4 3,61752 137 0*99956

0,0731 2,65225 131 0,96390 5 3,61615 137 0*99956

0,0732 2 ,65094 132 0,96385 5 3,61478 136 0*99955

0,0733 2,64962 131 0,96380 5 3,61342 136 0*99955

0,0734 2,64831 132 0.96375 5 3*61206 136 0*99955

0,0735 2 ,64699 1 O 1 131 0,96370 ,5 3,61070 136 0*99955

0,0736 2*64568 130 0,96365 5 3,60934 136 0*99955

0,0737 2«6443o 131 0,96360 c7

O ^ ATT A O 3,60798 1 O Z 136 A AAA C C 0*99955

0,07 Jo O A'tl A *7 £. , OHJO < 1^1 A Oil ^ SI c *f 3«60oo2 0*99959

A A 7 9 O 0,0 7J7 O iClt 1 ^ L. ^,6*l'i /o 130 0.96331 c? 3,60927 135 A AAA e E. 0,0740 2,64046 130 0,96346 5 3,60392 135 0« 99954

0,0741 2,63916 130 0,96341 5 3,60257 135 0*99954

0,0742 2,63786 130 0*96336 5 3,60122 135 0*99954

0,0743 2,63656 129 0,96331 5 3*59987 134 0*99954

0, 0744 130 0,96326 5 3*59853 134 0*99954

0, 0745 2,63397 129 0.96321 5 3,59719 134 0*99954

0,0746 2,63268 129 0^96316 5 3*59585 134 0*99954

0,0747 2,63139 129 0,96311 4 3,59451 134 0*99954

0,0748 2,63010 128 0,96307 5 3*59317 133 0*99953

0,0749 2,62882 129 0,96302 5 3*59184 134 0*99953

0,0750 2*62753 0,96297 3*59050 0*99953

17
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

T A (\n.Ho_Tro') —^jQ^/ni /rt A O / ri. A ro /r V

0,0750 2.62753 128 0.96297 5 3.59050 133 0.99953

0, 075

2.62625 128 0.96292 5 3.58917 133 0. 99953

0,0752 2.62497 128 0,96287 5 3.58784 133 0.99953

0,0753 2.62369 128 0.96282 5 3.58651 133 0.99953

0,0754 2.62241 127 0.96277 5 3.58518 132 0.99953

0.0755 2.62114 128 0.96272 4 3.58386 132 0.99953

0,0756 2.61986 127 0.96266 5 3.58254 132 0.99952

0,0757 2*61859 127 0.96263 5 3.58122 132 0.99952

0,075S 2.61732 127 0.96258 5 3.57990 132 0.99952

0,0759 2.61605 127 0.96253 5 3.57858 132 0.99952

0,0760 2.61478 126 0,96248 5 3.57726 131 0.99952

0,0761 2.61352 127 0.96243 5 3.57595 131 0.99952

0,0762 2.61225 126 0,96238 4 3.57464 132 0*99952

0,0763 2.61099 126 0.96234 5 3.57332 130 0.99952

0,0764 2.60973 126 0.96229 5 3.57202 131 0.99951

0,0765 2.60847 126 0.96224 5 3.57071 131 0.99951

0,0766 2.60721 125 0.96219 5 3.56940 130 0.99951

0,0767 2.60596 126 0.96214 5 3.56610 130 0.99951

0,0768 2.60470 125 0.96209 5 3.56680 130 0*99951

0,0769 2.60345 125 0.96204 5 3.56550 130 0.99951

0,0770 2.60220 125 0.96199 4 3.56420 130 0.99951

0,0771 2.60095 124 0.96195 5 3.56290 130 0.99950

0,0772 2.59971 125 0.96190 5 3.56160 129 0.99950

0,0773 2.59846 124 0.96185 5 3.56031 129 0.99950

0,0774 2.59722 124 0.96180 5 3.55902 129 0.99950

0,0775 2.59598 124 0.96175 5 3.55773 129 0*99950

0,0776 2.59474 124 0.96170 5 3.55644 129 0*99950

0,0777 2,59350 124 0.96165 5 3.55515 128 0.99950

0,0778 2.59226 123 0.96160 4 3.55387 129 0.99950

0,0779 2.59103 124 0.96156 5 3.55258 128 0.99949

0,0780 2.58979 123 0.96151 5 3.55130 128 0.99949

0,0781 2,58856 123 0.96146 5 3.55002 128 0.99949

0,0782 2.58733 123 0.96141 5 3.54874 128 0.99949

0,0783 2,58610 122 0.96136 5 3.54746 127 0.99949

0,0784 2.53488 123 0.96131 5 3.54619 128 0.99949

0,0785 2,58365 122 0.96126 5 3.54491 127 0.99949

0,0786 2,58243 123 0.96121 4 3.54364 127 0.99949

0,0787 2,58120 122 0.96117 5 3.54237 127 0.99948

0, 0788 2,57998 122 0.96112 5 3.54110 127 0.99948

0,0789 2.57876 121 0.96107 5 3.53983 126 0.99948

0.0790 2.57755 122 0.96102 5 3.53857 127 0.99948

0,0791 2,57633 121 0.96097 5 3.53730 126 0.99948

0.0792 2.57512 121 0.96092 5 3.53604 126 0.99948

0.0793 2.57391 122 0.96087 4 3.53478 126 0.99948

0.0794 2.57269 121 0.96083 5 3.53352 126 0*99948

0.0795 2.57148 120 0.96078 5 3.53226 125 0.99947

0,0796 2.57028 121 0.96073 5 3.53101 126 0.99947

0,0797 2.56907 120 0.96068 5 3.52975 125 0.99947

0.0798 2.56787 121 0.96063 5 3.52850 125 0.99947

0,0799 2.56666 120 0.96058 5 3.52725 125 0.99947

0.0800 2.56546 0.96053 3.52600 0.99947

18
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

x -fpo.Eo) /rt So/R A C^R

0,0800 2.56546 120 0,96053 5 3.52600 125 A

U 7 7 7 *T 1

\J ^ W ^ V/ >L 2 .56426 120 0,96048 4 3. 52475 125 AW >t <3<3947 7 7 ? •T 1 0.0802 2.56306 119 0.96044 5 3.52350 125 V <t 99946

0. 0803 2.56187 120 0.96039 5 3.52225 124 0.,99946

0.0804 2.56067 119 0.96034 5 3.52101 124 0..99946

0.0805 2.55948 119 0.96029 5 3.51977 124 A >1 <5<?94f> 7 7 ^ "T O

0. 0806 2.55829 119 0,96024 5 3.51853 124 , 99946

0.0807 2.55710 119 0.96019 5 3,51729 124 1 99946

0. 0608 2.55591 119 0,96014 4 3.51605 124 0.,99946

0.0809 2.55472 119 0,96010 5 3.51481 123 0.,99945

0,0810 2.55353 118 0.96005 5 3.51358 123 , 99945

0,0811 2.55235 118 0,96000 5 3.51235 124 Oi, 99945

0.0812 2.55117 119 0,95995 5 3.51111 123 0« 99945

0.0813 2.54998 118 0,95990 5 3.50988 122 0.,99945

0.0814 2,54880 117 0,95985 5 3. 50866 123 0.,99945

0.0815 2.54763 118 0.95980 5 3.50743 123 \j <, 99945

0.0816 2.54645 118 0.95975 4 3.50620 122 0

, 99945

0.0817 2.54527 117 0.95971 5 3.50498 122 , 99944

0.0818 2.54410 117 0,95966 5 3.50376 122 Oi,99944

0, 0819 2.54293 117 0,95961 5 3. 50254 122 0.,99944

0.0820 2.54176 117 0.95956 5 3.50132 122 r\., 99944

0.0821 2.54059 117 0,95951 5 3.50010 122 u <, 99944

0. 0822 2.53942 117 0.95946 5 3.49888 121 , 99944

0. 0823 2.53825 116 0.95941 4 3.49767 122 ,99944

0.0824 2.53709 117 0.95937 5 3.49645 121 Oi,99943

0.0825 2.53592 116 0,95932 5 3.49524 121 \j i, 99943

0.0826 2.53476 116 0,95927 5 3.49403 121 Oi, 99943

0.0827 2.53360 116 0.95922 5 3.49282 121 99943

0.0828 2.53244 116 0.95917 5 3.49161 120 0< 9,9943

0.0329 2.53128 115 0.95912 5 3.49041 121 Oi,99943

0.0830 2.53013 116 0.95907 4 3.48920 120 Oi\j • 99943

0.0831 2.52897 115 0,95903 5 3.48800 120 , 99942

0.0832 2.52782 115 0.95898 5 3.48680 120 99942

0.0833 2.52667 115 0.95893 5 3.48560 120 Oi 99942

0.0834 2.52552 115 0.95888 5 3.48440 120 0. 99942

0.0835 2,52437 115 0.95883 5 3.48320 120 99942

0.0836 2.52322 115 0,95878 5 3.48200 119 0« 99942

0,0837 2,52207 114 0,95873 4 3.48081 120 0« 99942

0.0838 2.52093 114 0.95869 5 3.47961 119 0. 99942

0.0839 2.51979 115 0.95864 5 3.47842 119 0. 99941

0.0840 2.51864 114 0.95859 5 3.47723 119 0< 99941

0,0841 2.51750 114 0.95854 5 3.47604 118 0« 99941

0.0842 2.51636 113 0.95849 5 3.47486 119 99941

0.0843 2.51523 114 0,95844 5 3.47367 119 0« 99941

0.0844 2.51409 113 0.95839 5 3.47248 118 0. 99941

0.0845 2.51296 114 0.95834 4 3.47130 118 0. 99941

0.0846 2.51182 113 0.95830 5 3. 'f7012 118 0. 99940

0.0847 2.51069 113 0.95825 5 3.46894 118 0. 99940

0.0848 2,50956 113 0.95820 5 3.46776 118 0. 99940

0.0849 2,50843 113 0.95816 5 3,46658 117 0. 99940

0.0850 2,50730 0.95810 3.46541 0. 99940

19
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

X -(f°-e°)/rt A (h°-e°)/rt A s°/r A Co/r

0,0850 2,50730 112 0.95810 5 3,46541 118 0.99940

lis A 0 0 A C 0 . 75o 05 •2 /t A A 0 117 ill

2. 505 05 112 0u .9, 7 S8^ 0 00u u 4 - 4A AA lift X X 0 A - QQQ 4

y « 7 7 7 *+ y

? * S A"^ Q*^ 112 X 1 A A OK 70

a A A 1 ft ft 117 1 1 f A OQQ ao y • 7 7 7 J7

rt A A ^ p . ^ A? A 1 X 1 J A Q c: WQ 1 U , 73 f 7 1

Ci a A A A7 1 117 1 1 ( A OQQ ^

yyy ^y

0,0855 2*50168 112 0.95786 5 3.45954 116 0.99939

u , u ^ w A , ^ UU 0 111 XXX A Q'i7A 1 U • 7 3 f 0 X 5 • 45 A ^ft 117 X X f A - 999 39 U . 7 7 7 J 7

U, Oo3 1 ^ , *T 7 >*f _> X117X A A 77

1^ -I Zl^ 7 9 1 5 . '+3 * A 1 117 1 1 ( Q» 7 77 J7

A A fi^ A U , U o A ,*f 70 J ^ 1119X A A 0 Ci 77 1 0 »yj ( 1 L I? A A A A. 1 1 A 1 10 A 000^0 0* 777 J7

A ACS Q £ , *T 7 f A X 1XXX1 1 nU . 9S76A 7 #00 4

3 . A.'54AA 1X 1X A0 A- 999 39 (J. 777 J7

0.0860 2,49610 111 0.95762 5 3.45372 117 0.99938

n n A A

XXX 1 1 1 •3 A ^ 5 C% 1X X1 A0 A OQO'^A y H 7 7 7 JO

O AAA 7 ? Aft XXX 111 5 J • *+ X ^ 7 X X Ay - QQQ "^ft • 7 7 7 JO

A A A A "4 111 XXX 5 Dm t-' y 1

1X xo1 A Ay •- OQQ 7 7 7 JO^A

A A A A^ 9 * ZiQ 1 AA XXX 1 1 1 J • 't't 7 y 0 X1 1X A0 Ay • QQQ^ft 7 7 7 JO

0.0865 2,49055 HI 0.95737 5 3,44792 115 0.99938

A ARA>A ^ # *T 0 ~ *T*T XtinX u A Q*! 7 ^ 5 44A77 1X X1 A0 A - 999 3

U . 7 7 7^0

A A Q A 7 u , UOO r 5 AAA "a

111 111 A Q "7 9 C U • 7!> 1 C.O

C, ^ A A <^ A 1 J , Hf30

lie; 115 A OOQ 07 0. 77737

A A O £ O 1 1 A 110 A 0 R "7 0 "0 C 0 /. A A A A 115 A 0 Q 0 0 ^ 0. 77V37

A A fi AO *5 A fl A 1 a 110 11a U • 7P / 1 c5 c J • f**• J J 1 1 15 A0. OQQ 777 n3 f 0,0870 2,48503 110 0.95713 5 3.44216 115 0.99937

A AQ7 1 9*rO J y J X1 X1 0uA QK 7 AQ U . 7 3 r U 0 J

-2 H*r A A 1 t\ 1 X U X X X*T A * OQQ "^7 y • 7 7 7 J f A Afl7 ? A , *tO A 0 ^ 1XU7nQ 0 0 S 7 O'^ U • 7 P f U J

a A'aOA7 1X X1 7 A-y QQO ^7

yyy j

? .4R174. 110 X X u 0.U • 9'S699 7 0 7 7 5 • "T ^ 0 r £. 114 X X y • OQQ 7 7 7 J^7f A AO 7/1 £. • *tOUO*t X1 r\Q u 7 A Q C; A Q A U . 7 0 7 *T * 1*^7 c^ft 114 X XH A-. y • QOQ^A 7 7 7 JO

0,0875 2.47955 110 0.95689 5 3.43644 115 0.99936

A A fl 7 A U • 0 0 f 0 7 ZL7flZiK A . H r 0*T1 aQ A Q^AAA. y « 7 ^ OO't IS J .. 4H J 53 A?97 114 1 XH A . 999 3A 0 . 7 7 7 JO

A A Q 77 U, Oo ' < 5 Zr77'*A 1107AO A Q ^ A. 70 U • 7PO # 7

c a A A 1 f\ 1 1 A 1 l*f A QQO^A U. 777 3o

A Afi7fi A5 .• Zi7 f / A0 A7 7f 11 aQ0' A 0*%A7A J

•a A a 0 A 1 J . M- J JQ X 113 1 U A-0.777 QQ93AJo

A A fi 7 0 0 A 7R 1

1 Afl 1 0 0

A 0 c: A AO u » 7 00 7

/. 0 A "3 1 fi A 3 • t J 100 114 1 IM- A0 . QQ09A 77 7 30

0,0880 2.47410 109 0.95665 5 3.43074 113 0.99935

A A A A 1 109 X U 7 0 . 9'5660 W . 7 ^ 0 V U 5 3 .4296

1 14 0. 99935

A^ A A A 0 2A .47192 • ~ 1 A 7 A IO8 0-95655 5 •s .42847 113 X X ^ 0. 99935

A AA A ^ A . *T 1 U 0 H 1 Aft U . 7 -JO u- 4^7 '^4 1X 1X J3 0.u . 99935 7 7 7 ^ J A A A A/b A2 .4AQ7A . " 7/0 1 Aft 0U ..95645 7 J 0 5 11^ X X J 0.U . 99935 7 y 7 J J 0,0885 2.46868 108 0.95640 5 3.42508 113 0.99935

AV , AAAA UOO 0 A2 .-.4A7AO f 0 V 1 OR 0 956'^5 4 3J .4239 . *T A J 7 5 X113X J 0.99935 U . 7 7 7 J*/ w , U 0 0 f 2 .46652 iQQ 0.956'?! 5 3.42282 112 X X ^ Q, 99934

A. AflfiS 2 .46544 iQQ 0.95626 5 3.42170 113 0* 99934

A^gO 2 .46436 107 X u f ft -95 A?

y • 7 ^ 0 £. X 5 3.42057 1X 12X £. 0. 99934

0,0890 2.46329 107 0.95616 5 3.41945 112 0.99934

A Aoqi U , U 0 7 1 A2 .46222 . ^ 0 A A A X1 OAU 0 0 95A1

V . 7 3 0 X X 5 3-41 fl33 112 X X A 0.y • 99934 7 7 7 j"T AU A0Q9 , U 0 7 ^ 2 .461 1

X1 07U ' 0U . 95606 7 ^ 0 UO 5 ^3-41721 . *T X f A X 112 X X A 0.y • 99934 7 7 7 A A 0 0 0 0, 0oV3 ^ A AA A7 A .HOOO

1 A7 10' A 0 A A 1 U, 770U

0J . Af 11 A AQ 0 0" 115 1 1a A 000*^4 y • 777 j*f A A fiOA. U, 0O7*f A .S-37UU 11 a70 < AU . 0577 57 Q77 1 3.41497 J . *f X*t7 I 115 X X A A . QQQ "^"^ y • 7 7 7 J J 0, 0895 2 .45793 106 0.95592 5 3.41385 112 0.99933

0,0896 2.45687 107 0.95587 5 3.41273 111 0.99933

0,0897 2.45580 107 0.95582 5 3.41162 111 0.99933

0,0898 2.45473 106 0.95577 5 3.41051 112 0.99933

0,0899 2.45367 IO6 0.95572 4 3.40939 111 0.99933

0,0900 2.45261 0.95568 3.40828 0.99933

20
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions ifor Values of X = hcv/kT

X -(F0-E°)/RT

u A (H°-Eo)/RT

U

A s°/r A C^R

0,0900 2,45261 106 0,95568 5 3.40828 111 0 ,99933

0.0901 2,45155 106 0.95563 5 3.40717 111 0 ,99932

0.0902 2,45049 106 0.95558 5 3.40606 110 0 ,99932

0.0903 2,44943 106 0.95553 5 3.404'?6 111 0..99932

0.090^ 2,44837 106 0.95548 5 3.40385 no u<, 7 7 7 J ^ 0,0905 2,44731 105 0.95543 5 3.40275 111 0.. 99932

0,0906 2,44626 105 0,95538 4 3.40164 no 0.,99932

0,0907 2,44521 106 0,95534 5 3.40054 no 0.,99932

0.0908 2 ,44415 105 0,95529 5 3.39944 no 0..99931

0,0909 2,44310 105 0.95524 5 3. 39834 no u <. QQO "k 1

. 7 7 7 J X 0.0910 2,44205 105 0.95519 5 3.39724 no 0<.99931

0.0911 2,44100 105 0,95514 5 3.39614 109 0..999 31

0.0912 2,43995 104 0.95509 5 3.39505 no 0..99931

0.0913 2.43891 105 0.95504 4 3.39395 109 0«.99931

0.0914 2.43786 104 0.95500 5 3.39286 109 04. 99930

0.0915 2,43682 105 0.95495 5 3.39177 no 0«.99930

0.0916 2,43577 104 0,95490 5 3.39067 109 0«.99930

0.0917 2,43473 104 0.95485 5 3.38958 109 0..99930

0,0918 2,43369 104 0.95480 5 3.38849 108 0< 99930

0,0919 2,43265 104 0.95475 4 3.38741 109 7 7 7 J y

0,0920 2,43161 103 0.95471 5 3. 38632 109 0< 99930

0,0921 2,43058 104 0.95466 5 3.38523 108 0< 99929

0,0922 2,42954 103 0.95461 5 3. 38415 108 0« 99929

0,0923 2 ,42851 l04 0.95456 5 3. 38307 109 0. 99929

0,0924 2 ,42747 103 0.95451 5 3.38198 108 7 7 7 t 7 0.0925 2,42644 103 0.95446 5 3.38090 108 0. 99929

0,0926 2,42541 103 0.95441 4 3,37982 108 0< 99929

0,0927 2,42438 103 0,95437 5 3.37875 107 0< 99928

0,0928 2,42335 103 0,95432 5 3. 37767 108 0* 99928

0,0929 2 ,42232 l02 0,95427 5 3.37659 107 ft« 7 7 7 O

0,0930 2,42130 103 0,95422 5 3. 37552 108 0< 99928

0,0931 2,42027 102 0,95417 5 3. 37444 107 0«,99928

0,0932 2,41925 103 0.95412 4 3.37337 107 0< 99928

0,0933 2,41822 102 0.95408 5 3.37230 107 0. 99927

0,0934 2,41720 102 0.95403 5 3.37123 107 u< 0,0935 2 ,41618 102 0.95398 5 3. 37016 107 0. 99927

0,0936 2,41516 102 0.95393 5 3.36909 107 0« 99927

0,0937 2,41414 102 0.95388 5 3.36802 106 Oi 99927

0,0938 2.41312 101 0.95383 5 3. 36696 107 0« 99927

0,0939 2.41211 102 0.95378 4 3. 36589 106 99927

0,0940 2.41109 101 0.95374 5 3.36483 106 0< 99926

0,0941 2.41008 101 0.95369 5 3.36377 107 Oi 99926

0,0942 2.40907 102 0.95364 5 3. 36270 106 0« 99926

0,0943 2.40805 101 0.95359 5 3.36164 105 Oi 99926

0,0944 2.40704 101 0.95354 5 3. 36059 106 0< 99926

0,0945 2.40603 101 0.95349 4 3.35953 106 Oi 99926

0,0946 2.40502 100 0.95345 5 3.35847 106 0. 99925

0,0947 2.40402 101 0.95340 5 3.35741 105 0. 99925

0,0948 2,40301 100 0.95335 5 3.35636 105 0. 99925

0,0949 2.40201 101 0.95330 5 3.35531 106 Oi 99925

0,0950 2,40100 0.95325 3.35425 Oi 99925

21
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

JL -[e^-tL'^)/ til A

£i [oy-tij'^)/ til A A

0.0950 2.40100 100 0.95325 5 3.35425 105 0.99925

0. 0951 2,40000 100 0.95320 4 3. 35320 105 0.99925

0,0952 2.39900 100 0.95316 5 3,35215 105 0.99925

0,0953 2,39800 100 0.95311 5 3.35110 104 0.99924

0,0954 2.39700 loo 0.95306 5 3.35006 105 0. 99924

0,0955 2.39600 loo 0.95301 5 3.34901 105 0.99924

0,0956 2.39500 99 0.95296 5 3.34796 104 0. 99924

0, 0957 2.39401 100 0.95291 5 3. 34692 105 0. 99924

0, 0958 2.39301 99 0.95286 4 3. 34587 104 0. 99924

0, 0959 2.39202 loo 0.95282 5 3. 34483 104 0. 99923

0, 0960 2.39102 99 0.95277 5 3.34379 104 0.99923

0,0961 2 .39003 99 0.95272 5 3. 34275 104 0. 99923

0.0962 2.38904 99 0.95267 5 3.34171 104 0.99923

0, 0963 2 .38805 99 0.95262 5 3. 340!37 103 0, 99923

0,0964 2 .38706 99 0.95257 4 3. 33964 104 0, 99923

0,0965 2.38607 98 0.95253 5 3.33860 103 0,99922

0, 0966 2.38509 99 0.95248 5 3. 33757 104 0, 99922

2 .38410 98 0.95 243 5 3 . 33653 X U 0. 99922

0. 0968 2.38312 99 0.95238 5 3.33550 103 0. 99922

0. 0969 2.38213 98 0.95233 5 3, 33447 103 0* 99922

0.0970 2.38115 98 0.95228 4 3.33344 103 0.99922

0,0971 2,38017 98 0.95224 5 3. 33241 103 0.99921

0, 0972 2,37919 98 0.95219 5 3.33138 103 0. 99921

0,0973 2,37821 98 0.95214 5 3.33035 103 0,99921

0,0974 2,37723 97 0.95209 5 3.32932 102 0.99921

0.0975 2,37626 98 0.95204 5 3.32830 103 0,99921

0,0976 2,37528 97 0.95199 4 3.32727 102 0,99921

0.0977 2,37431 98 0.95195 5 3.32625 102 0. 99920

0.0978 2,37333 97 0.95190 5 3.32523 102 0.99920

0.0979 2,37236 97 0.95185 5 3.32421 102 0.99920

0.0980 2,37139 97 0.95180 5 3.32319 102 0.99920

0.0981 2,37042 97 0.95175 5 3.32217 102 0.99920

0.0982 2.36945 97 0.95170 4 3.32115 102 0. 99920

0.0983 2.36848 97 0.95166 5 3.32013 101 0,99920

0, 0984 2.36751 97 0.95161 5 3.31912 102 0.99919

0.0985 2.36654 96 0.95156 5 3.31810 101 0.99919

0,0986 2.36558 97 0.95151 5 3.31709 101 0. 99919

0,0987 2.36461 96 0.95146 5 3.31608 102 0,99919

0,0988 2.36365 96 0.95141 5 3.31506 101 0.99919

0, 0989 2.36269 96 0.95136 4 3.31405 lOl 0.99919

0.0990 2.36173 96 0.95132 5 3.31304 101 0.99918

0.0991 2.360 77 96 0.95127 5 3.31203 100 0.99918

0.0992 2.35981 96 0.95122 5 3.31103 101 0.99918

0.0993 2.35885 96 0.95117 5 3.31002 loi 0.99918

0. 0994 2.35789 95 0.95112 4 3.30901 loo 0.99918

0.0995 2.35694 96 0.95108 5 3.30801 100 0.99918

0.0996 2.35598 95 0.95103 5 3.30701 101 0.99917

0.0997 2.35503 96 0.95098 5 3.30600 100 0.99917

0.0998 2.35407 95 0.95093 5 3.30500 100 0.99917

0.0999 2.35312 95 0.95088 5 3.30400 100 0.99917

0.1000 2.35217 0.95083 3.30300 0.99917

22
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

_('t5'o_to') /-rt

0

Cho-eo") /rt S°/R A C °/R

0. 1000 2.35217 95 0,95083 5 3.30300 100 0.99917

nU # X1 nmV X 2 ,35122 95 0.95n78 4 3,30200 99 u

7 7 7 1. f 0.1002 2,35027 95 0,95074 5 3.30101 100 0. 99916

0,1003 2 .34932 95 0«95069 5 3. 30001 loo 0. 99916

2 , 34837 94 n.95n64 5 3. 299ol 99 0. 99916

0. 1005 2.34743 95 0,95o59 5 3.29802 loo 0. 99916

0.1006 2.34648 94 0,95054 5 3. 29702 99 999 16

0,1007 2 .34554 95 0,95049 4 3,29603 99 0. 99916

0, 1008 2.34459 94 0.95045 5 3.29504 99 0. 99915

0, 1009 2.34365 94 . 0.95040 5 3.29405 99 0. 99915

0,1010 2,34271 94 0.95035 5 3.29306 99 0« 99915

0,1011 2.34177 94 0.95030 5 3.29207 99 0. 99915

0,1012 2.34083 94 0,95025 4 3,29108 98 0. 99915

0.1013 2.33989 94 0,95021 5 3.29010 99 0. 99915

0, 1014 2.33895 93 0.95016 5 3.28911 98 0. 99914

0,1015 2.33802 94 0.95011 5 3,28813 99 0. 99914

0,1016 2.33708 93 0.95006 5 3,28714 98 99914

0,1017 2 .33615 94 0.95001 5 3.28616 98 0. 99914

0, 1018 2.33521 93 0,94996 4 3,28518 98 0. 99914

0,1019 2 .33428 93 0,94992 5 3, 28420 98 0« 99914

0.1020 2.33335 93 0.94987 5 3.28322 98 0. 99913

0, 1021 2.33242 93 0.94982 5 3, 28224 98 nw M« 99913

0. 1022 2.33149 93 0.94977 5 3.28126 98 0« 99913

0,1023 2.33056 93 0,94972 5 3.28028 97 0. 99913

0,1024 2 .32963 93 0. 94967 4 3.27931 98 0. 99913

0,1025 2.32870 92 0.94963 5 3.27833 97 0. 99912

0.1026 2.32778 93 0.94958 5 3,27736 98 nU a• 99912

0. 1027 2.32685 92 0,94953 5 3,27638 97 0* 99912

0,1028 2.32593 92 0,94948 5 3,27541 97 0. 99912

0, 1029 2.32501 93 0,94943 5 3,27444 97 0. 99912

0,1030 2.32408 92 0,94938 4 3,27347 97 0. 999 12

0,1031 2.32316 92 0,94934 5 3,27250 97 0* 99911

0,1032 2.32224 92 0.94929 5 3.27153 97 0. 99911

0, 1033 2.32132 92 0.94924 5 3.27056 96 0. 99911

0,1034 2.32040 91 0.94919 5 3.26960 97 0. 999 11

0.1035 2.31949 92 0.94914 5 3.26863 97 0. 999 11

0.1036 2.31857 91 0.94909 4 3.26766 96 0. 99911

0.1037 2.31766 92 0.94905 5 3.26670 96 0* 99910

0. 1038 2.31674 91 0.94900 5 3.26574 96 0* 99910

0. 1039 2.31583 92 0.94895 5 3.26478 96 0. 99910

0.1040 2.31491 91 0.94890 5 3.26382 97 0. 99910

0. 1041 2.31400 91 0.94885 5 3.26285 95 0* 99910

0, 1042 2.31309 91 0 « 94880 4 3. 26190 96 0* 99910

0. 1043 2*31218 91 0, 94876 5 3 • 26094 96 0. 99909

0. 1044 2,31127 91 0.94871 5 3.25998 96 0. 99909

0. 1045 2,31036 90 0.94866 5 3.25902 95 0. 99909

0.1046 2.30946 91 0.94861 5 3.25807 96 0. 99909

0.1047 2,30855 91 0.94856 4 3.25711 95 0* 99909

0. 1048 2,30764 90 0.94852 5 3.25616 95 0. 99909

0.1049 2,30674 90 0.94847 5 3.25521 96 0. 99908

0.1050 2,30584 0.94842 3.25425 0* 99908

23
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z _(Fo_eo)/rt A (h°-e°)/rt So/R h C^R

V , ± yj J \j 2 , 30584 9

0,94842 5 3 . 25425 95 0.,99908

0,1051 2 ,30493 90 0,94837 c 3.25330 95 0.,99908

n 1 n 7 u , 1 u •> ^ 7 . •a ftA n O7 ftu ft Qift 9 U , 7 H O J t 7 9 0., 99908

0, 10^3 O d ft ^ 1 n O ft 7 U

ft O A Q O "7 A 3.29 xhO 74 Oi, 99908

o ^ ft o 9 ^ O ft ft O A O 9 O O O K ft A ^ 3 . 29 0'^D ft c 9 9 0., 99907

0,1055 2,30133 90 0.94818 3 3.24951 95 0 , 99907

ft 1 ft A ? . ftft^'^ Oft 7 uft Q/ift 1 5 -> . ^ *tO 9 O q7 ^*T 0 » 99907

0, 1057 Q Q O 7

ft O /i O O "jL O A "7 C O 79 0 •99907

0, 103O o o O O £. / 90 Q A Q Q 0. 7^003 "2 O A Z. £. "7 3

2h6o / 94 0 1 99907

9 9 07 7/l Q Q B 7ft Q A 7 O Q 0 . 7 t (70 A o O A t\ 7 1 3 . 2'+9 ( 3 Q R 79 0 99907

0, 1060 2,29685 90 0.94794 5 3.24478 94 0 .99906

f\ 1 A 1 0, lOo9 9 Q C\ O £^ Q Q 0 7 U • 7*f f O 7 9

Q

.5 O /. O Q A • A 4 :>o4 7 4 0.> 99906

^ • ^ 7 ^ UO ftO Q7 A Q A 7 ft Zl J

a 9 A 7 Q A ^ • A H <i 7 y

Q7 A*+ 0.. 99906

ft 1 ftA ^ • ^ 7 *T X ( ftO Q7 U • 7 "t f 17 5

•a^ ^• A9 AH X

1 OA7 D Q7 A*T 0<.99906

ft 1 '^fti. ^ • ^ 7 ^ ^ O ftO Q7 5

-aJ •

^ c9 AH 1 A 9 i (J A Q7 AH- 0<.99906

0,1065 2,29239 89 0.94769 4 3.24008 93 0.. 99906

ft 1 ftAA ^ , ^ 7 X 7 u Oft Q7 ft 0^7 A a9

9 •a Q 1 . ^ 9 7 X 07 L.^ 0<. 99905

ft 1 ft A "7 "5 9 Oft tf. 1 ft Q 0 7ft Q A 7 A ft U. 7f /OO a 9 a Q 9 1 3 . 2 30 2 X Q A

7'f 0«, 99905

ft 1 ft o 9 9 ft Q 7 9 Q ft ft O A 7 Q C; D a o "a 7 "5 7 3 . 2 3 ( 2 f o a 7 3 0« 99905

ft 1 ft Q 9 9 fi fi Q A Q O 0 7ft Q A 7 C; 0 . 7H / 5 0

Q O O £. O A 3 . 2 3o3'» 0. 99905

0,1070 2,28795 89 0.94745 4 3.23540 93 0. 99905

U • 1 0 r 1

9 9 ft7 ftA. ft ft 0 0 A O A 7 /i_ 1 U • 74- / *f i

c; 'a 9 "a A /• 7 J • A ^44 f 7 P 0< 99904

n 1 A 7 9 ^ • ^ O Q X O fto ftO A QZi. 7 A U • 7** 1 JO 2 9 "a ^ A A 7 9 0. 99904

9 9 Q c^ "5 ft

<1 , <^ 0 9 ^ U

Q O O 7 A Q /t 7 1 Q 9 CI 9 1

:) • A ^ AO 1 7 9 0, 99904

0,1074 T o o A y. 1 O Q 8o 0 .94726 3.23168 9 3 0< 99904

0,1075 2,28353 88 0.94721 5 3.23075 93 0. 99904

0, 1076 O O O O i c O Q OO 4

Q O O A D O 3 • A a9o A A "3 9 3 0. 99904

ft 1 ft 7 7 o 9 Q 1 77 ft ft A QZt 7 1 9 A "X^ 9 9 ft ft Q • A A u O 7 7 ^ Oi 99903

ft 1 ft 7 O 0 7 fl A Q Q ftO 7f A Q A 7 A 7 -J 'A 9 9 7 O A ^ • ^ A ( 7 O Q 9 7 A Oi 99903

ft 1 ft7 Q fto fto A Q Zl7 A 9 U » 7*+ / J 9 9 7 A A • A A / y *T 7 J Oi 999o3

0,1080 88 0«94697 5 3.22611 92 0« 9990 3

ft 1 ftR 1 ^ • ^ / o ^ o ft 7 y # 7 *T O 7 t 4 ^ .

. 9 ^

9 s^1X q7 q7 J^ 0< 99903

ft 1 ft R 7 ^ • ^ f 1^7 ftO ftO A OA A ft ft U • 7HO 0 O

a 9 9 Zt 9 A 9 . ^ ^ H <i o q7 L.9 0. 99903

ft 1 ft o ^ 9 9 7 A R 1 ft 7 O ( A O A A ft ^ 0 • VfOO J 9 a 9 9 a 'a A q 9 7 2 Oi 99902

ft 1 ft A A 9 9 7C^ fi ft o 0A O A A 7 fi a 9 9 9 A 9 O 9 7 ^ 0. 99902

0,1085 2,27476 87 0.94673 5 3.22150 92 0. 99902

ft 1 ft fi 0 , 1 Oo o9 9 7 1 D Q £. %C 1 ^07 O 7 O / ri a /i c o 0 . yfoo 0•a 9 9 ft D 3 . 2 2 09 o O 9 7 A 0. 99902

0, iOo 7

9 9 7 ^ ft 9 O 7 O ( ft ft / ^ ^ o 0 . 7'too3 A4 3 . 2 1 700 7 A 0. 99902

0,1 OvO 9 9 7 9 1 s; Q 7 O t

ft O A C\ O 0 . VfOS 7

o O 1 ft 7 A 9 . 2 i 0 ( H G 9 7 C. 0« 99901

1 O o 0, LOoy 9 9 7 1 9 O Q 7 O / ft O A ^ c; A -J 3.21 a 9 1 7 ft 9 (02 Q 9 7 A 0. 99901

0,1090 2,27041 87 0.94649 5 3.21690 91 0. 99901

0* 109

'5 O ^ O C /. # ^07 PH- OO A A /i Z. A /. 0 . 740'fH 9 3 • A 1 97

7 A 0. 99901

0, 1092 O £. O £ O O 7 O f 0 . 7'f 6 37 A o 9 1 c; A 7 Q 1 7 1 0. 99901

0, 1093 2 • ^Lo i o I

O L. o oA ft A -3 0 . 7'f o 3 5 9

o 9 1 /. 1 A P • A i H i O

O 9 7 A 0. 9990

0, 1094 "5 7 O ^ • ^OO 7t> O 7 O ( 0 . yfo 30 9 :5 • A i ^ AH 7 i 0. 99900

ft 1 ftO'i ftA ft q^A9S 5 • A L, £. J •J 7 X 0. 99900

0,1096 2,26522 87 0.94620 5 3.21142 91 0. 99900

0,1097 2,26435 86 0.94615 5 3.21051 91 0. 99900

0,1098 2,26349 86 0.94610 4 3.20960 91 0. 99900

0, 1099 2,26263 86 0.94606 5 3.20869 91 0. 99899

0,1100 2,26177 0.94601 3.20778 0. 99899

24
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

VA^TTO T?0^ /pT A A£X 0 / n. A 0 o/R

riU linn « J. i U U

o ? A 1 77 0 0 . 7 07 78 7 X u < 7 7 u 7 7

0. 1101 2,26091 86 0.94596 5 3.20687 91 0. 99899

U • 1 1 u ^ ^ , ^ o u u ^ R A U • 7 *+ 7 X 5 . 7n50A On7 U C\ A OOR 7707700

U • X X ^ 2 ,25919 85 0.94586 4 3. 70506 9 1 u • 998 99

U • J. 1 U*T ? . ? 5 8 ^^4 R A A 06.*^ ft ? 5 ^ • IJ H- X -* 07 nu

A . 008 7 7 cj 007 7 A 11 0 n Q4 S 7 7 3 • C.\J J c. 07 X1 A . OOR OR

0,1106 2,25663 86 0.94572 5 3.20234 90 0. 99898

n • 1 107 2,255 77 8 5 0.94567 5 3 . 20 144 97 0u 0. 99898

U • J. i. u O ^ , ^ ^ ~ 7 £. R A 0 • Q4'i A 7 5 3 - 7 005

On7 u n < 007 7 80 087 0 n 1 1 o<3 0 . 945 5 7 4 3.1 J % X 9964 7 7 U ~ 907 u 0 a 99898

nU », X1 11X X r> 2 ,25321 85 0 .945 5 3 5 3 . 19874 90 o« 998 97

0,1111 2,25236 85 0.94548 5 3. 19784 90 0. 99897

0.1112 2,25151 85 0. 94543 5 3. 19694 90 Oi 99897

0.1113 2,25066 85 0,94338 5 3.19604 89 Oi 99897

0.1114 2,24981 85 0.94533 4 3. 19515 90 Oi 998 97

0,1115 2,24896 84 0.94529 5 3. 19425 90 99896

0,1116 2,24812 85 0.94524 5 3, 19335 89 0. 99896

nU , 1117 i. X X ( 7 • 24727 R 5 n Q45 1

Q

U . 7 ^ X 7 5 3.1 0746 On7 (J n - 008 7 7 0 OA7 0

nU 1 1 1 R , X X X o R4 0 Q45 1

U . 7 t ^ X ^ 5 3.101 J , X 7 X 560 80 07 n

OOR 7 7 0 OA7 0

r> 1110 ? . ?45 'iR R 5 n(J . Q45 7 H- -J novj 7 4 -33.1, X 0nA7 7 y D f 80 07 nqOR 7 7 0 OA7 0

n 1 1 ? A U , J. 1 ^ U? • ?447'^ R4 n Q4'S ns 3J , X1 fl07R 0 7 / 0 R0 Q7 n07 07 R0 07 A0

0.1121 2,24389 84 0.94500 5 3, 18889 89 0. 99895

nU , X117? X ^ ^ ?^ .243n5 , ^ ^ R4 n . 04495 5 3 . 1 8 fl n n 80y 7 n008 7707^05

r>U 1 1 ? , X X ^ 7 - ?4? ?R S U . 7*+*+ 7 u 5 3.1871 1 , X 0 ( XX R0 Q7 n

7 7 0 7 n 11 74 2,24137 84 n . 9448 5 5 3.1 8677 Ru 07 n

00805 7 7 0 7 J nW , X1125 X 2,24052 83 0 . 9448 n 4 3. 18633 8 9 n . 908 7 7 0 057

0,1126 2,23969 84 0.94476 5 3. 18444 88 0. 99894

0,1127 2,23885 84 0.94471 5 3. 18356 89 0 • 99894

0, 1128 2,23801 84 0.94466 5 3. 18267 89 0, 99894

0,1 129 2,23717 83 0 .94461 5 3. 18178 88 99894

0. 1 13n 2,23634 84 0.94456 4 3. 18 090 88 99894

0,1131 2,23550 83 0.94452 5 3. 18002 89 0. 99893

nU 1 1 ? , X X ^ 7.7 '^4/=>7 84 n 04447 5 3.1701

^ . X f 7 X V 80 R0 A * 007 7 R0 07 3J U , X X --^ ^ £. m C 3 J G O fi0 J 0 . 0444 7 5 3.1 7fl 75 Rfl 0 0 A . QO7 7 80 Q7 3J U , X X J*T 7 . 7 nn n 044'^7 3. 1 77 37 880 0 A - Q Q fi 0 CI 7 7 0 7 -> n. 1 135 2,23217 84 0 • 94432 4 3 . 17649 A A 008 7707^0 3

0, 1136 2,23133 83 0.94428 5 3. 17561 88 0. 99893

0,1 137 2 ,23050 83 0.94423 5 3, 17473 88 0, 99892

0,1138 2,22967 83 0.94418 5 3, 17385 88 99892

0,1139 2 ,22884 82 0.94413 5 3, 17297 87 99892

0, 1140 2 ,22802 83 0 . 94408 5 3, 17210 88 99892

0,1141 2.22719 83 0.94403 4 3.17122 87 0. 99892

nw , 114? X X ^ ^ 7 ., 776'^A ^ w O R ^ u • y ^ D J 7 5 3.1 7r>35 Rfi A • OOR 7 7 0 07 X1 0 1 1 4'3 W , X X ^ 2,22553 R? V • 7 "t _? 7 •+ 5 ^3 ., 1X AD 07 'ir 71 87 A m. 00801 7 7 0 7 X

V/ , X X ^ ^ 7Cm .m 27471 ^ C~ 1 J. n * Q4 ft Q 5 3 • 1 Afi A 0 8 7 A « 008 7 7 0 07 1X n 11 4^1 VJ , X X H y ^ • ^ c. ^ 0 0 ft ? A Q A. ft Zl 1 A7 7 3 R0 R0 A . Q Q a Q 1 7 7 0 7 1

0,1146 2.22306 82 0.94379 4 3, 16685 87 0. 9<?891

0, 1147 2,22224 83 0.94375 5 3, 16598 87 0. 99890

0,1148 2.22141 82 0.94370 5 3, 16511 67 0. 99890

0,1149 2,22059 82 0.94365 5 3, 16424 87 0. 99890

0,1150 2,21977 0.94360 3,16337 0. 99890

638951 O - 62 - 3 25
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

X -(F°-E°) /rT A (h°-e°)/rt A S°/R A c°/r

P

0.1150 2.21977 82 0.94360 5 3. 16337 86 0, 99890

0. 1151 2.21895 82 0.94355 4 3. 16251 87 0. 99890

0.1152 2.21813 82 0,94351 5 3. 16164 87 0. 99889

0.1153 2.21731 81 0.94346 5 3. 16077 86 0.99889

0.1154 2.21650 82 0.94341 5 3. 15991 87 0,99889

0.1155 2.21568 82 0.94336 5 3. 15904 86 0, 99889

0.1156 2.21486 81 0.94331 4 3.15818 87 0,99889

0.1157 2.21405 82 0.94327 5 3. 15731 86 0.99889

0.1158 2.21323 81 0.94322 5 3. 15645 86 0. 99888

0.1159 2,21242 82 0.94317 5 3.15559 86 0. 99888

0.1160 2.21160 81 0.94312 5 3. 15473 87 0. 99888

0. 1161 2,21079 81 0.94307 4 3. 15386 85 0.99888

0. 1162 2.20998 81 0.94303 5 3. 15301 86 0.99888

0.1163 2.20917 81 0.94298 5 3.15213 86 0,99887

0, 1164 2.20836 81 0.94293 5 3.15129 86 0, 99887

0. 1165 2,20755 81 0.94288 5 3.15043 86 0,99887

0.1166 2,20674 81 0.94283 5 3. 14957 85 0, 99887

0.1167 2,20593 81 0.94278 4 3. 14872 86 0.99887

0.1168 2,20512 80 0.94274 5 3. 14786 85 0. 99886

0. 1169 2,20^32 81 0.94269 5 3.14701 86 0,99886

0,1170 2.20351 80 0.94264 5 3. 14615 85 0,99886

0.1171 2.20271 81 0.94259 5 3. 14530 85 0,99886

0.1172 2.20190 80 0.94254 4 3. 14A45 86 0,99886

0.1173 2.20110 81 0.94250 5 3. 14359 85 0,99885

0.1174 2.20029 80 0.94245 5 3, 14274 85 0. 99885

0. 1175 2,19949 80 0.94240 5 3. 14189 85 0. 99885

0.1176 2.19869 80 0.94235 5 3.1410^ 85 0,99885

0.1177 2.19789 80 0.94230 4 3. 14019 85 0,99885

0. 1178 2.19709 80 0.94226 5 3. 13934 34 0,99884

0.1179 2.19629 80 0.94221 5 3.13850 85 0,99884

0.1180 2.19549 80 0.94216 5 3. 13765 85 0.99884

0.1181 2. 19469 79 0.94211 5 3. 13680 84 0, 99884

0. 1182 2,19390 80 0.94206 4 3. 13596 85 0. 99864

0.1183 2,19310 80 0.94202 5 3. 13511 84 0, 99883

0.1184 2,19230 79 0.94197 b 3. 13427 84 0,99883

0.1185 2,19151 80 0.94192 5 3. 13343 85 0,99883

0.1186 2,19071 79 0.94187 5 3.13258 84 0.99883

0.1187 2,18992 79 0.94182 4 3.13174 84 0. 99883

0.1188 2,18913 80 0,94178 5 3.13090 84 0.99882

0. 1189 2,18833 79 0,94173 5 3. 13006 84 0. 99882

0.1190 2.18754 79 0,94168 5 3. 12922 84 0.99882

0.1191 2,18675 79 0,94163 5 3. 12838 84 0,99882

0.1192 2 ,18596 79 0,94158 4 3. 12754 83 0,99882

0.1193 2,18517 79 0.94154 5 3. 12671 84 0. 99881

0. 1194 2,18438 79 0.94149 5 3. 12587 84 0. 99881

0.1195 2,18359 78 0.94144 5 3. 12503 83 0.99881

0. 1196 2,18281 79 0.94139 b 3. 12420 84 0,99881

0. 1197 2, 18202 79 0.94134 4 3. 12336 83 0. 99881

0.1198 2.18123 78 0.94130 5 3.12253 83 0.99881

0.1199 2. 18045 79 0.94125 b 3. 12170 84 0.99880

0. 1200 2.17966 0.94120 3. 12086 0.99880

26
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

A

AAA A

0 • 1200 *? 1 "7 O A. 7 Pf 0

A O /i 1 9 A U • 7 *+ 1 Z vj •2.1 9 A P A ^ • X A L O O ft 0 .99880

0 .1201 2,17888 78 0.94115 5 3. 12003 83 0 . 99880

0

1 o r* T 9 1 7 R 1 A 7 Q n o A 1 1 n U » VH i X u

it :5

"3 1 1 Q 9 A • X X 7 A U

ftO 9 0 , 99880

0

T 9 n 9 - 1 77 1 7R A OA 1 aA ^ -• XT X1 ftO _^^ 71 0 •998 79

0

T 0 n A 9 1 7 A A O /i 1 A 1 a T 1 7 A Zl 9 • X X r 9 H- ft "3 O 9 0 . 99879

0

9 1 7 7 C. • X / 9 f 9 7 ft A Q /i A Q A "3 T 1 A 7 1

J) • X X O / X O 9 0 .99879

0 ,1206 2#17497 78 0.94091 5 3. 11588 83 0 , 99679

U • i- C U f 9 * 1 74 1

78 n . Q 4nfi ft 4 J • X X vj -* 8 ? 0 •99879

CiU

1 ? n ft ^0-17341 , X r ^ ^ X 78 V . 7 " U ^ ^ 5 3 - 1 1 4? 3 8 3 0 • 99878

U • X ^ U 7 ? • 1 7? f^"? 7ft A . Q4n 7 7 ^ • X X J/ *-T u R 3 0 • 99878

U 0 X ^ X U

7 7 n Q 4 n 7 7 J' *• 1X 1X 9^ ^S 71 R ? 0 . 99878

0 ,1111 2,17108 78 0,94067 5 3. 11175 83 0 •99878

0 • X ^

O 1 7 A "3 A 7 7 A O /i A A O U • 7 4 U O AZi_ o 1 1 A O 9 3 • X X U7

o d 0 • 99878

0 ^ • i O 7 9 J 7 A A Q Zl A ^ ft A "3 1 1 A T A J • X X U X U

A 9 0 .99877

V 9 1 ^ X H 9 ^ 1 A Q 7c; 7 7 A Q A A U • ^H- (J 9 J

•2^

1 A Q 9 ft • X U 7 A O ft 9 0 . 99877

r\U

9 * 1 A 7 Qft 7 ft A Q A. A Zl ft \j • 7*f U*tO A "2 T Aft Zl A ft "3 o 9 0 •99877

0 ,1216 2,16720 77 0.94043 5 3. 10763 82 0 ,99877

r\U

T 9 1 "7 9 id I f 9 T A A Zl "3 7 7 A O / A CI Q U • 74 U J oZr o 1 A A fl 1 O A 0 • 99877

0 1 ^ 1 o

9 1 A^ A A A • X O O

7 7 A O /i A "3 /i J

Q 1 A A Q O J • X 09 7

O A 0 .99876

U » 1 ^1 1 7

9 1 AZl Q A • X 0*T o 7 7 ft

f o A Q /i A 9 O U • 7 *+ U A 7 A "2 1 A A 1 7 ^ • X U 9 X / R 9 O A 0 .99876

U

9 1 A4 1

A • X 0*T X X 7 7 A Q Zi. A 9 Zl U • ^ ^ U A H

A •2 1 AZl "3 ^ ^ • X (J** 9 9 ft0 1X 0 ,99876

0 ,1221 2.16334 77 0.94019 5 3. 10354 62 0 ,998 76

nu , X ^ ^ c 2 , 16257 n - Q 4n 1 4 ^ - 1 n 9 7 9 R ? 0 ,99876

A

U ^ • X o X o X 77 A Q Zl A 1 A U • ^ ^ U J- u

5 •29 .•

11 A 1 Q A (J X J \j R 1 0 , 99875

A

U , X ^ ^ *+ ^ , X Q X U^T 77 A Q 4 A A ^ R-/ Dm% 1X A 1 aQ (J X U

" R 7 0 , 99875

A

U

1 9 ? R ^9.1, X AnOU ^? 7( 77 A O Zl A A A J 1 A A 9 7 o <^ 0 , 99875

0 ,1226 2,15950 76 0,93995 5 3.09945 81 0 (99675

AU

1 7 ? 7 , X ^ ^ r ? • 1 Sft 76. 77 A q QQ A U • 7 J 7 7 U 4 3 n 9 H ft 4 ft 1 0<1 998 75

,1228 2,15797 76 0-93986 3-n97R3 8 9 Oi n o o 7 /.

( y y o 74

n , 1229 2,15721 77 W • ^ 7 'J X 3 3 - '1 9 7 n 1 ftU 1X 0.,99874

n » 1230 2 . 1 5644 76 0.93976 3 - n 9 ft ? n U X 0.. 99874

0 ,1231 2.15568 77 0.93971 5 3.09539 61 0<1 99674

n\j .1232 2 • 15491 7fi A Q ^ q A A U . 7 J 7 U O 4 3 . n 96 >i R ftO X1 0< 99874

^ ± C. -J ^ ^ , X _J X ^ 7ft n q ^ Qft 5 U . 7 J 7 O ^

IS 3

S> 9 A 9 7 7 \Jy J 1 1 ftO 1X 0.(99873

n 1 9'^4 £. t ± J ^ J 7 7ft n 9 ^ Q 7 . n q 9 q ft .3 . U 7 ^ 7 o ftO 1X 0« 99873

0 1 1 235 2,15263 76 n . 9 ^ 9 5 ? 5 3 - 09 ? 1

ftO 1X 0.,99873

0 ,1236 2.15187 76 0.93947 5 3,09134 SI 0< 0 0 0 7 0

( y y d 7 3 0 . 1237 2.15111 76 0.93942 4 3.09053 8 0 0< Q O Q 7 "3

( 7VO ( J 0 , 1238 2 • 1 5035 76 0.93938 5 3.08973 6 1 0< O O J3 7 ( yy t3 / i. 0 . 1239 2 • 14959 76 0.93933 5 3.08892 8

0<( 99872

0 , 1 240 2 . 14883 75 0.93928 5 3 . 0 8 R 1 1 8 0 0.( 99872

0 ,1241 2. 14808 76 0,93923 4 3.08731 81 0

Ll O O ~7 "J , y y 0 7 ^ n 2 . 14732 7ft n\j -9 9y ^-J 9y X1 9y 5 3 . A R ft C, A R O 0<( y9872

.1243 1 X ^ ~ a/ 2 • 14656 75 n . 93 9 1

U . 7 _J 7 X ^ 3 - 08S 7 n fl 0 0 ,99871

0 . 1 244 2.14581 7ft nV .. 939 7 _J 7 (19 1^ 7 3-0 R 49 O R 0 0<(99871

0 . 1245 2 . 14505 7 5 0-93 W . 7 904 7 U

3 . 0841rtO 1X 0 .99671

0 ,1246 2.14430 75 0.93899 4 3.0B329 80 0 , 99871

0 ,1247 2.14355 76 0.93895 5 3.08249 80 0 ,99871

0 ,1248 2.14279 75 0.93890 5 3.08169 80 0 ,99870

0 ,1249 2.14204 75 0.93885 5 3.08089 80 0 ( 99870

0 ,1250 2. 14129 0.93880 3.08009 0.( 99870

27
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z -(FO-E°)/rT

u A (H°-Eo)/RT

u A s°/r A c°/r

p

0.1250 2.14129 75 0.93880 5 3.08009 80 0.99870

0.1251 2, 14054 75 0,93875 4 3.07929 79 0.99870

0, 1252 2. 13979 75 0.93871 5 3.07850 80 0.99869

0, 1253 2.13904 75 0.93866 5 3.07770 80 0.99869

0.1254 2. 13829 75 0,93861 5 3.07690 79 0.99869

0.1255 2. 13754 74 0.93856 5 3.07611 80 0.99869

0.1256 2.13680 75 0,93851 4 3.07531 79 0.99869

0.1257 2.13605 75 0,93847 5 3.07452 80 0.99868

0.1258 2.13530 74 0,93842 5 3.07372 79 0.99868

0.1259 2.13456 75 0.93837 5 3.07293 80 0. 99868

0.1260 2.13381 74 0.93832 5 3.07213 79 0.99868

0.1261 2.13307 75 0.93827 4 3.07134 79 0.99868

0. 1262 2.13232 74 0.93823 5 3.07055 79 0.99867

0.1263 2.13158 74 0.93818 5 3.06976 79 0.99867

0.1264 2. 13084 74 0.93813 5 3.06897 79 0.99867

0.1265 2.13010 75 0.93808 4 3.06818 79 0.99867

0.1266 2. 12936 74 0.93804 5 3.06739 79 0.99867

0.1267 2.12861 74 0.93799 5 3.06660 79 0.99866

0.1268 2.12787 73 0.93794 5 3.06581 78 0.99866

0. 1269 2.12714 74 0.93789 5 3.06503 79 0.99866

0.1270 2.12640 74 0.93784 4 3.06424 79 0.99866

0.1271 2.12566 74 0.93780 5 3.06345 78 0.99865

0.1272 2.12492 74 0.93775 5 3.06267 79 0.99865

0. 1273 2.12418 73 0.93770 5 3.06188 78 0.99865

0.1274 2 .12345 74 0.93765 5 3.06110 78 0.99865

0.1275 2. 12271 73 0.93760 4 3.06032 79 0.99865

0.1276 2.12198 74 0.93756 5 3.05953 78 0.99864

0. 1277 2 . 12124 73 0.93751 5 3.05875 78 0. 99864

0.1278 2. 12051 73 0.93746 5 3.05797 78 0.99864

0. 1279 2 . 1 1978 74 0,93741 5 3.05719 78 0. 99864

0. 1280 2 . 1 1904 73 0.93736 4 3.05641 78 0.99864

0. 1281 2.11831 73 0.93732 5 3.05563 78 0.99863

0.1282 2,11758 73 0.93727 5 3.05485 78 0.99863

0. 1283 2. 11685 73 0.93722 5 3.05407 78 0. 99863

0, 1284 2.11612 73 0.93717 4 3.05329 78 0.99863

0.1285 2,11539 73 0.93713 5 3.05251 77 0. 99863

0. 1286 2. 11466 73 0.93708 5 3.05174 78 0.99862

0. 1287 2, 11393 73 0.93703 5 3.05096 77 0.99662

0. 1288 2 , 11320 72 0.93698 5 3.05019 78 0.99862

0.1289 2, 1 1248 73 0.93693 4 3. 04941 77 0. 99862

0. 1290 2,11175 73 0.93669 5 3.04864 78 0. 99861

0. 1291 2,11102 72 0.93684 5 3.04786 77 0.99861

0.1292 2.11030 73 0.93679 5 3.04709 77 0. 99861

0. 1293 2. 10957 72 0.93674 5 3.04632 78 0. 99861

0. 1294 2.10885 72 0.93669 4 3.04554 77 0.99861

0.1295 2.10813 73 0.93665 5 3.04477 77 0. 99860

0, 1296 2.10740 72 0.93660 5 3.04400 77 0. 99860

0. 1297 2,10668 72 0.93655 5 3.04323 77 0. 99860

0.1298 2. 10596 72 0.93650 4 3.04246 77 0. 99860

0. 1299 2.10524 72 0.93646 5 3.04169 77 0.99860

0. 1300 2.10452 0.93641 3.04092 0.99859

28
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

T _C'Po_'Po') \^ —£jQ;/ni /rt A (\nHo_Tro") —jLq;//-RT ni s°/r A C^R

0 ,1300 2. 10452 72 0,93641 5 3,04092 76 0<,99859

0 ,1301 2» 10380 72 0.93636 5 3,040 16 77 ,99859

0 ,1302 2. 10308 72 0.93631 5 3,03939 77 Oi.99859

0 ,1303 2. 10236 72 0.93626 4 3,03862 76 0. 99859

0 , 1304 2« 10164 72 0,93622 5 3,03786 77 0* 99858

0 ,1305 2. 10092 71 0.93617 5 3,03709 76 ,998 58

0 ,1306 2, 10021 72 0.93612 5 3,03633 77 Oi, 99858

0 ,1307 2 .09949 72 0.93607 4 3.03556 76 0,( 99858

0 ,1308 2.09877 71 0.93603 5 3.03480 76 Oi 99858

0 ,1309 2.09806 72 0,93598 5 3.03404 77 04,99857

0 ,1310 2.09734 71 0,93593 5 3,03327 76 Q, 99857

0 ,1311 2.09663 71 0,93588 5 3,03251 76 Oi. 99857

0 ,1312 2.09592 72 0,93583 4 3,03175 76 Oi 99857

0 ,1313 2.09520 71 0,93579 5 3.03099 76 Oi 99856

0 ,1314 2.09449 71 0.93574 5 3.03023 76 Oi 99856

0 , 1315 2.09378 71 0,93569 5 3,02947 76 U i, 99856

0 ,1316 2.09307 71 0,93564 4 3,02871 76 Oi 99856

0 ,1317 2. 09236 71 0,93560 5 3,02795 76 0« 99856

0,,1318 2 .09165 71 0,93555 5 3,02719 75 0. 99855

0 ,1319 2.09094 71 0,93550 5 3,02644 76 0. 99855

0 .1320 2.09023 71 0,93545 5 3,02568 76 0« 99855

0,,1321 2.08952 71 0,93540 4 3,02492 75 0« 99855

0.,1322 2.08681 71 0,93536 5 3,02417 76 0, 99855

0,,1323 2.08810 70 0,93531 5 3,02341 75 0. 99854

0,,1324 2.08740 71 0,93526 5 3,02266 76 0. 99854

0,,1325 2.08669 70 0,93521 5 3.02190 75 0, 99854

0,, 1326 2.08599 71 0,93516 4 3,02115 75 0, 99854

0 ,1327 2.08528 70 0,93512 5 3,02040 75 0, 99853

0,,1328 2.08458 71 0.93507 5 3,01965 76 0. 99853

0<,1329 2.08387 70 0,93502 5 3,01889 75 0. 99853

0,,1330 2.08317 70 0.93497 4 3,01814 75 0« 99853

0 ,1331 2.08247 71 0,93493 5 3.01739 75 Oi 99853

0,,1332 2.08176 70 0,93488 5 3,01664 75 0* 99352

0 ,1333 2.08106 70 0.93483 5 3,01589 75 0. 99852

0,,1334 2.08036 70 0,93478 5 3,01514 74 0« 99852

0,,1335 2.07966 70 0.93473 4 3, 01440 75 0« 99852

0 ,1336 2.07896 70 0.93469 5 3.01365 75 0« 99851

0,,1337 2.07826 70 0.93464 5 3.01290 75 0« 99851

0 ,1338 2.07756 69 0.93459 5 3,01215 74 0. 99851

0,,1339 2.07687 70 0,93454 4 3,01141 75 0. 99851

0,, 1340 2.07617 70 0,93450 5 3,01066 74 0, 99351

0,,1341 2,07547 70 0,93445 5 3,00992 75 0« 99850

0 ,1342 2.07477 69 0,93440 5 3,00917 74 99850

0 ,1343 2.07408 70 0,93435 5 3, 00843 74 0, 99850

0 ,1344 2.07338 69 0,93430 4 3,00769 75 0. 99850

0 ,1345 2.07269 70 0,93426 b 3,00694 74 0, 99849

0 ,1346 2.07199 69 0,93421 5 3,00620 74 Oi 99849

0 ,1347 2.07130 69 0,93416 5 3,00546 74 Oi 99349

0 ,1348 2.07061 70 0,93411 4 3,00472 74 Oi 99349

0 ,1349 2.06991 69 0,93407 5 3.00398 74 Oi 99848

0 ,1350 2.06922 0,93402 3.00324 Oi 99848

29
Table I Harmonic Oscillator Contributions (in dimensionless form)

Thermodynamic Functions for Values of X = hcv/kT

z -(F0-E°)/RT A (h°-e°)/rt A s°/r A

AOC^R/p

0.1350 2.06922 69 0.93402 5 3.00324 74 0. 99848

0,,1351 1^ £ Q C O 69 f\ O O Q O "7 t,

\) 3 . 0025 0 7 4

/-I A A 0 /. n 0 . 99 0 48

o<,1352 ?^ ^ nfil U w » o ** fi9 - AA 1 7 A 7 ^ A 0 Q ft Zl ft U . 7 7 0 *+ 0 0,,1353 A Q A Q CI "J Q O ^ A A 1 A y 7 "2 A Q Q Q /i 0 0 • 7 7 0 4o

0,,135^ A Q nU Q ft • 7 J J) o ^ 5 - AAA 7 Q 7 L. A QQ ft Zl7 0,,1355 2.06577 69 0.93378 5 2.99955 74 0. 99847

T S A 1 i. ^ O 2 • 065 08 69 0,93373 5 2,99881 7 3 0 . 99647

0,,1357 7 . n;^4'^

n Q ^ ft 4 7 . qo c ar 74. nU .. Q7 qft 7 0 ^71 0,,1358 ?L— .9 rib37n \J \J -J 1 \} 68 0.93364 5 2.997 34 7 '-( A » qqft 6.A VJ . 7 7 0 0

0<,1359 2

063 02 69 0.93359 5 2 . 99661 74 A . g q R 4.A U . 7 7 u D 0,,1360 2.06233 69 0.93354 5 2.99587 73 0.99846

u <, 1 iol C # U D i OH- O O

A Q Q "a Zi O A*+ 9 0 Q C. 1 Zi. A • 7 7 -> i H 7 A A 0 0 ft / ^

0,,1362 D 7 \J ^ ^ D J '"T J 3 A9 .

- QOZlA 7 7 H-H aU

A OQ ft Zl A U • / 7 0 HO

0,,1363 c. • u o u ^ / O O A Q A U • 7 ^ ^ f u £l9 OQ CI A 7 . 7 7 J? 0 ( 7 'X A 0 0 ft /i ^ 0 . 7 V 0 H- 9 0<,1364 P n R Q R Q A Q A Q R U • 7 J J J> !? 9 Q 0 9 Q Zj. A . V 7 A 7 ^ A 0 0 ft />

0,,1365 2.05890 68 0.93330 5 2.99221 73 0.99845

0 i

1 o i- /

, liob p n s ft ? ? A ft U • ^ ^ ^ ^ 4 9 OQ 1 Zl ft A . 7 7 1 H 0 7 A A Q 0 ft A U . 7 7 0 H 9 0,,1367 !? A 7 R A. Ao fto A Q CI '2 9 1 9 Q Q n 7 Zj_ A • 7 7 U / ^ 7 Ct A 0 0 ft / / U • 7 V 0 44

0, 1368 ^

9 n R A A A • U 7 O o o A Q A Q "5 Cl 1 A A-J 9 Q Q A A 1 A • *7 7 (J U X 7 9 / A A 0 0 ft / U • 7 7 0 44

0, 1369 9 n R A 1 7 A H A Q CI Ci 1 1 A 9 Q P Q 9 Q A • 7 0 7 7 7 'X A Q Q ft A A U . 7 7 0 44

0, 1370 2.05549 68 0.93306 4 2.96856 73 0. 99844

0< 13 71 ^ . IJ " o ^ A ft A Q A 9 9 Q ft 7 ft 7 A - Q Q ft ZiZi.

[J . 7 7 0*+*+ 0, 1372 ? . 084 1 A R A Q 9 Q 7 A9 . Q7 ft0 7f 1X AU

7 A _ Q Q ft Zt

(J . 7 7 0 H _) 0, 1373 ) A A. Aft A Q CI 9 Q 9 A

9 Q ft A Ci 7 . 7 0 0 ' 7 9 A Q Q ft Zl CI (J • 7 7 0 H J 0. 1374 ^ . U ^ ' ' A ft A Q CI 9 Q 7 U . 7 ^ A O / *+A 9 Q ft A A R A . 7 0 P 0 -? 7 ci A 0 0 ft /i CI 0 • 7 V 0 4 J 0, 1375 2.05209 67 0.93283 5 2.98492 73 0. 99843

0 a

T "2 7 <i o A c; 1 /i 9

» U i ^ li- A ft D O A Q CI 9 "7 P 13 9 3 fl /i 1 Q A . V 0 *+ i 7 7 9 / A A Q 0 ft /. 9 0 • 7 V 0 4 A 0, 1377 o n c; n "7 /, A P A Q CI 9 7 CI I? O 0 Q d '1 7 7 CI A Q Q D /. 9 0« 7 V 0 4 A 0. 1378 9 - n R fin A Ao fto n Q 9 A ft 9 - Q ft 9 7 4. A . 7 0 A ' *+ 7/ 9A A * Q Q ft Zl 9

(J . 7 7 0 *+

0, 1379 A 7 A Q 9 A A9 Qft 9 A 9 . 7 0 A U ^ 7 A Q 0 ft Zl 9 U . 7 7 0 HA

0. 1380 2.04871 68 Q, 93259 5 2.98129 72 0.99841

u

? • 048 n3 67 0.93254 5 2, 98057 72 0.99841

0. 1382 Aft o o AU . Q7 ^J t.7^07 3 ? Q7q c S 7 7 Ay * Q Q ft 4 1 . 7 7 0 *+ X 0, 1383 t. • vJ O tJ A 7 A Q ^ ?4 A.

\j % y J £. ^ '-T ? . Q7Q 1

^ . 7 f 7 X -J 7 ? A * Q 0 ft 4 1 U . 7 7 0 *-r X 0. 1384 9 - r\Uf\C\ 1 # u^o U J- A 7 A Q 9 6. A U . 7 J ^ '+U 9 q 7 R 1 7 ^ A QO ft Zl 1 y . 7 7 0 H X 0. 1385 2,04534 68 0.93235 5 2.97768 72 0.99840

0 •

T O O i 138 6

o /t /t a c

tL . Uhh DO 6 I A O Q O A 0 . y 3 A J 0

C 0 Q 7 0 A A . y / 0 y 0~7 T

/ A A Q 0 ft /> A 0.77 0 4(J 0. 1387 ? . A i q Q A 7 A Q ^ 9 9 ^ 3 A

9 .. 077 * A0 A9 4"-r 71 A9 A - Q 0 ft 4 A \J * 7 7 0 H U 0. 1388 ^17 ..

r\ii. ^ 7 A 7 A 0 9 9 A U • > ^ A A (J A. A9 -• 077 / R S? A9 7( A9 A * Q 0 ft Zl A 0. 1389 p A £l A A 7 A O CI 9 "1 A 0 . 7 J A X O

9 0 7 Zl ft A 7 1

/ X A Q Q ft CI Q U . 7 7 0 3 7 0. 1390 2.C4198 67 0.93211 5 2.97409 72 0. 99839

0. 1391 ? » 04 1 ^ T A 7 A Q ^ ? A A U . > -J ^ U D 5 ? . Q7 7 7 7 nu «. 998 7 7 u ^ 97 0. 1392 ? . n4n ft4 n . 9 2 m 4 2 , 97265 72 0* 99839

0. 1393 ? . A Q Q 7 A 7 A Q 1 0 7 U • 7 ^ 1 7 / 5

T , q7 1 qci

c. * y i X 7 -? 1 X A . qq« ^ft u • 7 7 0 J 0. 1394 7 » Q ^

^- . l^J -5 -> U A 7 U . 7 ^ 1 7 ? - 07 1 ? ? 7 ? n. 90 A ^ft 0. 1395 2 .03863 67 0.93187 5 2.97050 7 1 0,99838

0, 1396 2,03796 67 0,93182 4 2.96979 72 0, 99838

0. 1397 2.03729 66 0.93178 5 2.96907 71 0, 99838

0. 1398 2,03663 67 0.93173 5 2.96836 72 0.99837

0. 1399 2,03596 66 0,93168 5 2.96764 71 0. 99837

0. 1400 2,03530 0,93163 2.96693 0. 99837

30
X

Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

-(fo-e°)/rt a (h°-e°)/rt a so/R a c^r

nu • X t u u 2<— , 03530 67 0.93163 4 2,96693 71 0<. 99837

2 1 03463 66 0.93159 5 2.96622 72 0<. 99837

0. 1402 2 ,03397 67 0.93154 5 2.96550 71 0<.99836

0. 1403 2 •03330 66 0.93149 5 2.96479 71 0., 998 36

rvU i 2 »03264 66 0.93144 5 2 • 96408 71 Oi.99636

n\J t 2 1 03 198 67 0.93139 4 2.96337 71 0*. 99836

0. 1406 2 •03131 66 0.93135 5 2.96266 71 o«.99835

0. 1407 2,03065 66 0.93130 5 2.96195 71 Oi 99835

0. 1408 2 •02999 66 0.93125 5 2.96124 71 0. 99835

0« 1409 2,,02933 66 0.93120 4 2.96053 71 Oi 99835

0, 1410 2<,02867 66 0.93116 5 2.95982 70 0. 99835

0* 1411 2,.02801 66 0.93111 5 2.95912 71 0. 99834

0. 1412 2,,02735 66 0.93106 5 2.95841 71 0. 99834

0* 1413 2 <» 02669 66 0.93101 4 2 . 95770 70 0« 998 34

0« 1414 2,.02603 66 0.93097 5 2.95700 71 0« 99834

0. 1415 2,,02537 66 0.93092 5 2.95629 71 0. 99833

0. 1416 2 ,02471 65 0.93087 5 2.95558 70 0« 99833

0. 1417 2,.02406 66 0.93082 4 2.95488 70 0. 99833

0« 1418 2<. 02340 66 0.93078 5 2.95418 71 0« 998 33

0. l'tl9 2 ,02274 65 0.93073 5 2.95347 70 0« 99832

0« 1420 2 ,02209 66 0.93068 5 2.95277 70 0« 99832

0. 1421 2 ,02143 65 0.93063 5 2.95207 71 0« 99832

0. 1422 2 ,02078 66 0.93058 4 2.95136 70 0. 99832

0. 1423 2 ,02012 65 0.93054 5 2. 95066 70 Oi 998 31

0. 1424 2 ,01947 65 0.93049 5 2.94996 70 0« 99831

0. 1425 2 ,01882 66 0.93044 5 2.94926 70 0< 99831

o« 1426 2 ,01816 65 0.93039 4 2.94856 70 0. 99831

0, 1427 2 ,01751 65 0.93035 5 2.94786 70 0. 99830

Ot 1428 2<,01686 65 0.93030 cD 2.94716 70 0. 998 30

0« 1429 2..01621 65 0.93025 5 2.94646 70 0« 99830

o« 1430 2..01556 65 0.93020 4 2.94576 70 0< 99830

0. 1431 2,,01491 65 0.93016 5 2,94506 69 0. 99830

0. 1432 2,.01426 65 0.93011 5 2.94437 70 0. 99829

0. 1433 2..01361 65 0.93006 5 2,94367 70 0, 99829

0. 1434 2..01296 65 0.93001 4 2.94297 69 0. 99829

0, 1435 2,.01231 65 0.92997 5 2.94228 70 0. 99829

0, 1436 2 •01166 64 0.92992 5 2,94158 69 0. 99828

0. 1437 2<,01102 65 0.92987 5 2,94039 70 0. 99828

o« 1438 2<.01037 65 0.92982 4 2,94019 69 0. 99828

0, 1439 2..00972 64 0.92978 5 2,93950 69 0« 99828

o« 1440 2,.00908 65 0.92973 5 2,93881 70 0> 99827

0. 1441 2 ,00843 64 0.92968 5 2.93811 69 0' 99827

0, 1442 2 •00779 65 0.92963 5 2.93742 69 Oi 99827

o« 1443 2 •00714 64 0.92958 4 2.93673 69 Oi 99827

0, 1444 2 •00650 64 0.92954 5 2,93604 69 Oi 99826

0. 1445 2 •00586 65 0.92949 5 2.93535 70 Oi 99826

0. 1446 2 .00521 64 0.92944 5 2.93465 69 0. 99826

0. 1447 2 .00457 64 0.92939 4 2.93396 68 0. 99826

0.,1448 2 .00393 64 0.92935 5 2.93328 69 Oi 99825

0. 1449 2 .00329 64 0.92930 5 2.93259 69 Oi 99825

0, 1450 2 .00265 0.92925 2,93190 0. 99825

31
Table I Harmonic Oscillator Contributions (in dimensionless forni) to the

Thermodynamic Functions for Values of X = hcv/kT

X _(Fo_eo)/rT

u A (H0-E°)/RT

u A s°/r A G^R

o«

O A A ^ ft f\ O ^ O 5 ft t . 7 5 1 7U Oi 99825

0, 1451 2.00200 64 0.92920 4 2.93121 69 0«,99825

o« 1452 2* 00136 63 0.92916 5 2.93052 69 Oi,998 24

0. 1453 2.00073 64 0.92911 5 2.92983 68 0<, 770 £.H 0,,1454 2.00009 64 0.92906 5 2.92915 69 0<,99824

0,,1455 1.99945 64 0.92901 4 2.92846 69 0..99824

0,, 1456 1.99881 64 0.92897 5 2.92777 68 0<,99824

0. 1457 1.99817 64 0.92892 5 2.92709 69 0<,99823

0. 1458 1.99753 63 0.92887 5 2.92640 68 0< 0. 1459 1.99690 64 0.92882 4 2.92572 68 0.,99823

0, 1460 1.99626 64 0.92378 5 2.92504 69 0<,99823

0, 1461 1 .99562 63 0.92873 5 2.92435 68 0«,99822

0. 1462 1.99499 64 0.92868 5 2.92367 68 0<,99822

0. 1463 1.99435 63 0.92863 4 2.92299 68 0< o o o o

, 998 22

0« 1464 1 .99372 63 0.92859 5 2.?2231 69 0«,99822

0 1465 1.99309 64 0.92854 5 2.92162 68 0* 99821

0. 1466 1.99245 63 0.92849 5 2.92094 68 0« 99821

0, 1467 1.99182 63 0.92844 4 2.92C26 68 0* 99821

0. 1468 1.99119 64 0.92840 5 2.91958 68 Oi O O 1 1 99821

0. 1469 1.99055 63 0.92835 5 2.91890 68 0< 99820

0« 1470 1.98992 63 0.92830 5 2.91822 68 0. 99820

o« 1471 1.98929 63 0.92825 5 2.91754 67 0. 99820

0« 1472 1 .98866 63 0.92820 4 2 .91687 68 0« 99820

0. 1473 1 .98803 63 0.92816 5 2.91619 68 u« 7 7 O A 7 0. 1474 1.98740 63 0.92811 5 2.91551 68 0« 99819

0« 1475 1 .98677 63 0.92806 5 2.91483 67 0< 99819

0, 1476 1.98614 63 0.92801 4 2.91416 68 99819

0. 1477 1.98551 62 0.92797 5 2.91348 68 0« 99818

0. 1478 I .98489 63 0.92792 5 2.91280 67 0« OQQ 1 Q 7 7 O i O 0. 1V79 1.98426 63 0.92787 5 2.91213 67 0« 99818

1480 1 .98363 63 0.92782 4 2.91146 68 Oi 99818

0, 1481 1.98300 62 0.92778 5 2.91078 67 0« 99817

G. 1482 1.98238 63 0.92773 5 2.91011 68 0« 99817

c. 1483 1.98175 62 0.92768 5 2.90943 67 0< 7 7 0 1/ c. 1484 1.98113 63 0.92763 4 2.90876 67 99817

0, 1485 1.98050 62 0.92759 5 2.90809 67 0« 99816

c. 1486 1.97988 63 0.92754 5 2 .90742 67 0« 99816

c. 1437 1 .97925 62 0.92749 5 2.90675 68 0« 99816

0. 1488 1.97863 62 0.92744 4 2 .90607 67 0. o770o n 1 £. lO

0. 1489 1.97801 63 0.92740 5 2.90540 67 0. 99815

0, 1490 1.97738 62 0.92735 5- 2.90473 67 0. 99815

0, 1491 1.97676 62 0.92730 5 2.90406 67 0. 99815

0. 1492 1 .97614 62 0.92725 4 2,90339 66 0. 99815

0. 1493 1.97552 62 0.92721 5 2.90273 67 0. 99814

0. 1494 1.97490 62 0.92716 5 2.90206 67 0. 99814

c. 1495 1 .97428 62 0.92711 5 2.90139 67 0. 99814

c. 1496 1.97366 62 0.92706 4 2.90072 66 0. 99814

0. 1497 1.97304 62 0.92702 5 2.90006 67 0. 99813

0. 1498 1.97242 62 0.92697 5 2.89939 67 0. 99813

0. 1499 1.97180 62 0.92692 5 2.89872 66 0. 99813

0. 1500 1.97118 0.92687 2.89806 0. 99813

32
Table I; Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z -(,i!"-J!ig;/rii A (h°-eo)/rt A o / n A ro /t? V

A

0.150 1.97118 615 0 ,92687 47 2,89806 664 0.99813 3

0 .151 1,96503 612 0 .92640 48 2,89142 658 0,99810 2

n .152 1.95891 607 0 .92592 47 2.88484 655 0.99808 3

.153 1,95284 603 0 ,92545 47 2,87829 650 0.99805 2

• 154 1,94681 598 0 ,92498 48 2,87179 646 0.99803 3

0 .155 1,94083 594 0 , 9Zh3 0 47 2,86533 642 0.99800 3

0 .156 1,93489 591 0 , 7^*fO •? 48 2,85891 637 0.99797 2

f) . 157 1,92898 586 0

Q O 9 R 47 2,85254 634 0.99795 3

CtV . 1 5fi 1,92312 582 0 ,92308 47 2,84620 630 0,99792 2

t X ^ 7 1,91730 579 0 ,92261 48 2,83990 625 0,99790 3

U

1 <in » lOU 1,91151 574 0 ,92213 47 2,83365 622 0.99787 3

0 .161 1,90577 570 0 ,92 166 47 2,82743 618 0.99784 2

AV 1,90007 567 Oi,92119 48 2,82125 614 0.99782 3 u 1,89440 563 0<,92071 47 2,81511 610 0.99779 3

. 164 1,88877 559 0 ,92024 47 2,80901 607 0.99776 3 n . 165 1,88318 556 0 ,91977 47 2,80294 603 0,99773 2

0 .166 1,87762 552 0 < ri 1 A O A 48 2,79691 599 0.99771 3 n . 167 1,87210 548 0 i A 1 O O O 47 2,79092 595 0.99768 3 u » X w o 1,86662 545 0.91835 47 2,78497 592 0.99765 3

. 169 1,86117 542 0.,91788 47 2,77905 589 0.99762 2

0 i1 170 X f u 1,85575 538 0< Q 1 1 A 1 47 2,77316 585 0.99760 3

0 .171 1,85037 534 0<91694 46 2,76731 582 0.99757 3

0 • 172 1,84503 531 0<91646 47 2,76149 578 0.99754 3

0 1 173 1,83972 528 0.91599 47 2.75571 575 0,99751 3

0 .174 1,83444 525 0.91552 47 2,74996 572 0,99748 3

KJ . 175 1,82919 521 0 i A 1 c n 47 2,74424 568 0.99745 3

0 ,176 1,82398 518 0 i O 1 A Q 7 0 47 2,73856 565 0.99742 3

0 ,177 1,81880 515 Oi91H11 47 2,73291 562 0.99739 3

0 • 178 1,81365 512 0,91364 47 2,72729 559 0.99736 3

0 ,179 1,80853 508 0.91317 47 2,72170 555 0.99733 3

0 ,180 1,80345 506 0 < Q 1 O ^ A 47 2,71615 553 0.99730 3

0 .181 1,79839 502 0 < 47 2,71062 549 0,99727 3 w t xo^ 1,79337 500 0 <91176 47 2,70513 547 0.99724 3

t X o ^ 1,78837 496 0.,91129 47 2,69966 543 0,99721 3

V./ . 184 1,78341 494 0.,91082 47 2,69423 541 0,99718 3

fl- , 185 1,77847 490 0< 47 2.68882 537 0,99715 3

0 .186 1.77357 488 Oi A A ft n r*i

, 90988 47 2.68345 535 0,99712 3

f)u . 1 ft7 1 X O f 1,76869 485 0«90941 47 2,67810 532 0,99709 3

u i X o o 1.76384 482 Oi90894 46 2,67278 528 0,99706 3 nu . X1 AOO 7 1,75902 479 0 90848 47 2,66750 527 0,99703 3

0

1 O A . X70 1,75423 477 Oi,90801 47 2,66223 523 0.99700 3

0 .191 1.74946 474 0 ,90754 47 2,65700 521 0.99697 4

0 .192 1,74472 471 Oi 90707 47 2,65179 517 0.99693 3

0 .193 1,74001 468 0<90660 47 2,64662 516 0.99690 3

0 ,194 1,73533 466 Oi90613 46 2.64146 512 0,99687 3

0 .195 1,73067 463 Oi90567 47 2,63634 510 0,99684 4

0 .196 1,72604 460 0,90520 47 2,63124 507 0.99680 3

0 .197 1,72144 458 Oi90473 47 2.62617 505 0.99677 3

0 ,198 1,71686 456 0,90426 46 2.62112 502 0,99674 3

0 ,199 1,71230 453 0,,90380 47 2.61610 500 0.99671 4

0 .200 1.70777 Oi90333 2,61110 0.99667

33
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z -(f°-e°)/rt

u A (h°-e°)/rt

u A S°/R A C°/R

P

A

0.200 1 ,70777 450 0,90333 47 2.61110 497 0.99667 a^ 0.201 1 . 70327 448 0 .90286 46 2.60613 494 0.99664 3

0.202 1 .69879 446 0. 90240 47 2.60119 493 0.99661 4

0.203 1 .69433 4^3 0.90193 46 2 . 59626 489 0.99657 3

0 . 2U4 fH 1 A A A 1 A 7 0. 90 147 47 2. 59137 488 0 .99654 3

0.205 1.68549 438 0.90100 47 2.58649 484 0.99651 4

1 . O 0 1 1 1 A A A A C ^ 0.9005 3 46 2,58165 A O O 483 0«99647 3

/-\ OAT 1 i 7 C 1.6(6/3 'f J j5 0.90007 47 2 a 57682 480 0.99644 4

0 .208 1.6 7242 A O 1 432 A O A A ^ 0.89960 46 2 . 57202 478 0*99640 3

1 .66 o 1

A O A A Q A A 1 /. 0. 899 IH A "f 47 2, 56724 476 0*99637 4

0.210 1.66381 427 0.89867 46 2.56248 473 0.99633 3

0.211 A O O O 1 1 A 7 O C C 7 7 c 2,55775 471 0.99630 4

0 . IZ 1 c; c; ^ A A a A O Q "n A

'f6 O C O A A 2,55304 46V 0.99626 3

0 . <: 1

1 A C\ 1 A "7 1 • O 7 lU / A 9 A A Q Q 7 O Q A 7 4o6 0. 776^3 y, 4

0 . 2 i't 1 A A A Q ~7 A 1 O A o A A a 1 0 * 0 7 &0

O A Q £ A £. . 3 4367 y. A c 463 A A A ^ 1 A 0.99619 3

0.215 1.64269 416 0.89635 47 2.53904 462 0.99616 4

n OTA 0 . 2 lo 1 4. '3 Q o A 1 -2 t 1 3 A O A C O O A A T R o A y. o A . 3 3442 y. A A 460 0.99612 3

0.217 1 A O A /i A H 1^: A O A C A O A £. 46 2, 32702 y. c o 458 0.99609 4

0.218 1 .63028 409 0 . 89496 47 2.52524 456 0.99605 4

0.219 1 .62619 408 0 .89449 46 2. 52068 454 0.9960

3

0.220 1.62211 405 0.89403 46 2.51614 451 0.99598 4

0.221 1 .61806 403 0.89357 47 2.51 163 450 0.99594 4

0.222 1 .61403 402 0.89310 46 2.50713 448 0.99590 3

0 .223 1.61001 399 0.89264 46 2. 50265 445 0.99587 4

0 .224^ 1 .60602 397 0.89218 46 2.49820 444 0.99583 4

0.225 1.60205 396 0,89172 47 2.49376 441 0.99579 4

0 • 226 1 c r\ o r\ 1 .59809 393 0,89125 46 2.48935 440 0.99575 3

0 . 227 1 .59416 O A O i9 2 0 . 89 079 46 2 . 48495 438 f\ A A C 7 O 0. 99572 y, 4

0.228 1 R A A O /. 1 .39024 3 Q A A O A A O O 0 . 8 V 03 3 46 2.48057 y. o c 433 A Q o a o 0. 77368 y, 4

0.229 1 O A Q c 1 . D o 6 J D

Q O O JO 8A O O A O ~7 0.0078 1 A "7 2.47622 y. o yi 434 A A o c A y^ 0 . 77364 y,4

0.230 1.58247 385 0.88940 46 2,47188 432 0.99560 3

0 . 2 J 1

1 C; 7 £3 A "5 a D /i A Q O O Q / 0 • o o o y A A £. , 46 r 3 6

/i Q A A Q ^ 7 A n "!> "a o U » 1 # ^ / H f 0 DOC. A A /l fl A. A 3 AA "3 9 A n Q o^ U # 7 5 5

A

*r

r\ o ^ o i. # -> ' U^o DO 1. A Q Q Q A 0 A A. t , 4 5 B-7 O

A O 7 A o O A o A*f A O 0 . Z:>H 1 Ci A "7 1 CL 1 9 D O f ID "3 7 0 A fl fi 7 C^ <i A A o A K /i 7 T C , 454 /

A A A Q o A c; A

*f 0.235 1 .56337 311 0«8871.0 46 2,45047 0.99541 4

0 .236 1 C d A A A

1 .D5960 Q "7 A A O O A A A 0 . 88664 A L. 46 "5 A A A o y. <i , 44624 y. 1 1 421 A A C ^ T A4

0.237 1,55586 373 0.88618 46 2,44203 419 0.99533 4

0.238 1,55213 372 0.88572 46 2,43784 417 0.99529 4

0.239 1 ,54841 369 0.88526 46 2,43367 416 0.99525 4

0.240 1,54472 368 0.88480 46 2,42951 414 0.99521 4

0.241 1,54104 366 0.88434 46 2,42537 412 0.995 17 4

0 .242 1 C O "7 O O

1 ,53738 365 0.88388 46 2 , 42125 410 n A A C 1 O 0 .995 1

y,4

0 • 243 1 C O O T 11 ,53373 362 0 .88342 46 2,41715 409 0.79509 y.4

0 .244 1,53011 361 0.88296 46 2,41306 407 0.99505 4

0 .245 1 ,52630 360 0.8825 0 HO O y. A Q A A

2 , 40O79 405 A A A C% A 1 0.7^30

A4

0.246 1,52290 357 0.88204 46 2,40494 403 0.99497 4

0.247 1,51933 356 0.88158 46 2,40091 402 0.99493 4

0.248 1,51577 355 0.88112 46 2,39689 401 0.99489 4

0.249 1,51222 353 0.88066 46 2,39288 399 0.99485 4

0.250 1.50869 0.88020 2.38889 0.99481

34
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z -(f°-e°)/rt A (H°-Eo)/RT A So/R A A

0.250 1.50869 351 0.88020 46 2.38889 397 0,99481 4

u • 1 X1 . 7 n<^ U7 X1 Ro J S3 nu

A ft7Q7A. ^ • ^ O H 7 t n <}<}477 V, ^ ^H 1 1 n - p 5 ? 1 -.50168 34R • W / 7 t. 7 4f> 2 « 38097 394 0-99472

r\ "3 1\ 1 ^47 A ft 7 ft ft "a U • O r O O J> AA 9 "^77 A "a Q A QQ4AA U » 7 7HO O

AH

U • ^A A ft 7fi a 7 U • o r o ^ f AAfO

9 "a 7 ^ 1 A •a o A jy u AU • QOAAA 7 7H04 At

0.255 1.49128 343 0.87791 45 2,36920 390 0.99460 4

0

1 A o 7 J5 c; A Q77AA A A 9 ^i A -a A •a A 7 A O 04 A 0, y yt3o c

1 # Ho^fH-J A D 7 7 A A O.O / TOO AA 9 ^ A 1 A a C« X43 CI A 7 f\ OQ4'^ 1 At

0.238 1 /.QIAO ^ ^ o A O 7 A A 0 • O 1 654 A A HO 9 ^ C 7 R A ^ • J P f PO 3o4 ^ A A A Q Q A A 7 0 , y y 1

1 t

A Q 7 A A fi U . O ( OOO AR 9 ^^7 9 A • ^ P ^ f A

^ A P 0 ^ u , y y1 1 ^

At

0.260 1.47426 336 0.87563 46 2.34989 382 0,99439 5

0 . 1

1 A 7 A O A 3 3 A ft 7 1 7 toA A 9 a A A A 7 A • ^40 U I JOO •a D A A OOA'aA 0 7 7434 A4

0 . ^Oii 1 A A 7 c^ c; "3 "a A ft 7 A 7 T U • O f 4 * X

9 "a A 9 9 7 A • ^H A A

5 ly A Q OA *k A U • 7 74 PU AH

o ^ o 1 A A A9 '5 a "a 9 o ^ c. A ft 7 A OA u • o / f^O AAto 9 ^ ^ ft A A Sit •3 77 A Q OA 9 A U • 7 7HAO cP U . ^OH 1 A A A Q A A ft 7 ^ ft A 41tP 9 "a "a A7 1 A

f X 7 A n Q Q4 9

0

•

7Ha X AH

0.265 1.45760 329 0.87335 46 2.33095 375 0.99417 5

A O A 1 ac;a^ 1 1 • *f p*t^ i 1 A A 7 9 ft Q 4Ato ^9 "a 97 9 A • ^ A / A U .5 f J A OQ41

f ; • 7 7H k. A

AH

ri ^ A 7 1 A 1 A A 7 A A ft7 O A "a 4^1 t*? 9 "^9^47 A « ^ A ^H f A - Q04A A U • 7 7HU O

AH

A ^ A fl U • ^ O O 1 AA77A J3 ^ V • O / X 7 O 4Ai HO A • ^ X 7 f O oil. 7 1 OU *• Q7 Q40 7'tU 4h

C)J U • ^. O 7 X # •+ *T ^ ^ 3 ?3 n * ft7 1 s ? 45 2*31606 368 0*W • 9939Q 7 7—^77 4

0.270 1.44130 322 0.87107 46 2.31237 368 0,99395 5

n - 271 .43808 32

45 2. 3n869 366 f)«9939n

n ? 7 ? 1 .4348 7 3 19 46 2 . 30503 365 0.99386 5 u . ^ / ^ 1 ft J? X o A . ftAQ7 A 4SH^ Aft 9 * 30 X1 ^3RO O -7 U * 7 7 ^ O X AH

n 7 74 1 4?ft5n -73 X1 ^>O nU •- ftO AO Q7 ^? ^s 4/^ A2 *# A2Q77S 7 / 1 ^ ^OA n-.99377 5 0.275 1,42534 316 0.86879 45 2.29413 361 0.99372 4

A OTA 1 • H ^ ^ 1 O D X4 A A Q "3 A AC; 4D 9 9 o A c; o A • A7 U P A jpy A OO'^ A A 0 • 7 7 POO P

n T "7 7 1 A T Q A /i a 1 9 A O A 7 Q O

0 . OO toy AA 4o 9 9 Q A O 'a A # A 007 J>

•a c: o A O 0'«l A ^ 0» 7 730 3 p

n O "7 Q 1 A 1 C^O 9 1 # H 1 3 V ^ ^ xc. A Q A 7 A A*% 4D 9 9 ft -a 'a C\ A • A o :>:>P •^7 A O 0*9 C^ A 0 • 7 7P P O AH

1 A 1 9 ft A •a 1 A ^ xo A fi A A O fi 4oA A 9 9 70 7 ft A # A / 7 A O A O O "Ck A 0 • y 7PP

cP 0.280 1.40970 309 0.86652 45 2.27623 355 0.99349 4

U . iiO i A A A A A 7 U • OO 0 u f 45HI? A9 • A9 7r AO9 A AO a 5 9 y

, ~ " JH ^

U . ^ U 1 « 4n354 3 07 ^4 *-> \J ^ \J C 45 2A * 2^9 1 • b O 7 X V J352J Cm 0»9934fl 5

n » ? ft ^ u U # o O ^ X 1 4f> A2 •* 2AwAS A4OH 3S 1 0.99335 4

u . t. o ^ 1 - 39742 3 n4 U 4 O U ^ ( X 45 2 - 2A 2 1

A • A O A X ^ 34Q 0.9933 1 5 0.285 1 .39438 302 0.86426 45 2.25864 348 0,99326 5

U . C.OO X • ^ 7 X -3 0

n 0 A ft A "a ft 1 U • OO ^O X AAto 9 9 c: K 1 A A . A D 3 XO "aP40A A A OO -I 9 1 u , y y 3 A

P

r\ O Q "7 0 . CO 1

1 n Q Q /, 3 Art i 00 A ft A Q. 'a A c; t3 9 9 R 1 7 A A » A 5 X / 0

"a340A A A Q O ^ 1 A 0 , y y .7 io A4

0 . 288 1 O O Q /. o o o

0 .86290 4p 9 9 y. O 9 /. 344 A Ci A 9 1 1 0 , 7 y 3 1

P

X •

9 O Q A O A 9 / Ck t3 9 9 /. A O A ^ • A ttO 0 343A "a A O O ^ A 7 0, yy .30 / P 0.290 1.37937 296 0.86200 45 2.24137 342 0,99302 5

X # J 1 0*T X ^9 Q7 AC3 A A A 1 c; U • OO X P7 HP ^9 • ^9 ^^7Q^ / 7 P

•aPHUA A Au , 0Q907 y y A 7 f P

n 7 Q 9 1 • J> / ^ ^ A 7 H

AU • OOOA 1X X

1 AU 4AHO A » A J h;? u

•^4 P HUA A QQ9Q 9 (J , 7 7 A 7 A

AH

u . ^ > ^ X • ^ / VJ'*' X A ^ RAA A

U • OO U O H- 4S A2 • 2A 3^ X1 X1 VS 3 3fl ^ , 7 7 A O O

U . ^ 7H 1 ^ A7S ft ^? Q7 A7 A A A A 1 Q U • O D U X 7

4*5 HJ A2-2# A A9777 f / ( A QQpft -a U , 7 7 AO J n "5 O c; (J . ^ >3 1 A A A A X • J OHO O

9 Q 1

<1 7 i A ft R Q 7 A U • OP 7 f 4 ACi 9 9 9 AA A A • A A 44U "a "a A p 3o A O O 97 O 0 , y yA 1 0 P

0.296 1.36175 290 0.85929 45 2,22104 335 0.99273 5 0 .297 1.35885 289 0.85884 45 2,21769 334 0,99268 5

0.298 1.35596 287 0.85839 45 2,21435 332 0,99263 5 0 .299 1,35309 286 0.85794 45 2,21103 332 0,99258 5 C.300 1.35023 0.85749 2,20771 0,99253

35
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z -(f°-e°)/rt

u A (H°-Eo)/RT

U

A So/R A Co/R

y

A

0.300 1 .35023 286 0.85749 45 2.20771 330 0.99253 5

0*301 1 ,34737 284 0.85704 45 2. 20441 329 0.99248 5 0*302 1 ,34453 283 0.85659 45 2.20112 328 0.99243 5 0*303 1 ,34170 282 0.85614 45 2. 19784 327 0.99238 5 0*304 1 ,33888 281 0.85569 45 2. 19457 326 0.99233 5 0.305 1,33607 280 0.85524 45 2.19131 325 0.99228 5

0 * 306 1 O O O O T 1,33327 279 0.85479 45 2* 188 06 323 0.99223 5

0*307 1 ,33048 277 0 .85434 45 2. 18483 323 0.99218 5

0*306 1 ,32771 277 0.85389 45 2. 18 160 322 0.99213 5 0 * 309 1 , 32494 276 0.85344 44 2. 17838 320 0.99208 5

0.310 1,32218 274 0.85300 45 2.17518 320 0.99203 5

0*311 1 ,31944 274 0 .85255 45 2. 17198 318 0.99198 5 0.312 1 ,31670 273 0.85210 45 2. 16880 318 0.99193 5

0.313 1 ,31397 271 0.85165 45 2. 16562 316 0.99188 6

0.314 1, 31126 271 0.85120 44 2. 16246 315 0.99182 5 0.315 1,30855 269 0.85076 45 2. 15931 315 0.99177 5

0.316 1 ,30586 269 0.85031 45 2. 15616 313 0.99172 5

0 •317 1 ,30317 268 0.84986 45 2 . 15 303 312 0.99167 5 0.318 1, 30049 266 0 .84941 44 2. 14991 3 12 0.99162 6

0.319 1 ,29783 266 0 . 84897 45 2. 14679 310 0.99156 5 0.320 1,29517 265 0.84852 45 2.14369 309 0.99151 5

0.321 1 ,29252 263 0 . 84807 44 2. 14060 309 0.99146 '6 0.322 1 ,28989 263 0 .84763 45 2. 13751 307 0.99140 5 0.323 1 ,28726 262 0.84718 45 2. 13444 307 0.99135 5

0.324 1 ,28464 261 0 . 8^673 44 2. 13137 305 0.99130 6

0.325 1,28203 260 0.84629 45 2.12832 305 0.99124 5

0.326 1 O "T A O

1 ,27943 259 0 . 84584 45 2. 12527 303 0.99119

0 . 327 1 ,27684 258 0.84539 44 2.12224 303 0.99114 6

0.328 1 ,27426 O C "7 257 0. 84495 43 2.11921 301 0.99108

0.329 i ,27 169 256 r\ O A A C /\ 0 . 8443 0 44 2.1 1620 301 0.""103 6

0.330 1,26913 255 0.84406 45 2.11319 300 0.99097 5

0.331 1 ,26658 o c c 235 0 . 8436

A A 44 2.11019 1 ft 299 0.99092

0 .332 1,26403 ^ c o 253 0.84317 45 2. 10720 298 0.99087 6

0.333 1 ,26150 O C O 253 0 .84272 44 2. 10422 297 0.9908

3

0.334 1 .25897 252 0.84228 45 2. 10125 296 0.99076 6

0.335 1,25645 251 0.84183 44 2.09829 296 0.99070 6

0 • 336 1 ,25394 250 0 . 84139 44 2. 09533 294 0.99064 5 0.337 1 ,25144 249 0.84095 45 2. 09239 293 0. 99059 6

0 .338 1 .24895 248 0.84050 44 2 .08946 293 0.9905 3

c5 0.339 1 ,24647 247 0. 84006 45 2. 08653 292 0.99048 6

0.340 1.24400 247 0.83961 44 2,08361 291 0.99042 5

0. 341 1 .24153 245 0.83917 44 2. 08070 290 f\ ft ft /\ '3 T 0.99037 o 0.342 1 ,23908 245 0.83873 A C 45 2.07780 o o o 289 f\ ft ft O T 0.9903

6

0 .343 1 ,23663 244 0.83828 44 2. 07491 288 0.99025 5 0.344 1,23419 243 0.83784 44 2, 07203 287 0.99020 6

0 . 345 1 .23176 O A O 0.83740 ^» 06V 16 •3 Q "7 CO 1 ft O O ft 1 /i o

0.346 1 ,22933 241 0.83696 45 2,06629 286 0.99008 5 0.347 1.22692 241 0.83651 44 2.06343 285 0.99003 6

0.348 1,22451 240 0.83607 44 2.06058 284 0.98997 6

0.349 1,22211 239 0.83563 44 2.05774 283 0.98991 6

0.350 1,21972 0.83519 2.05491 0.98985

36
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

I _(Fo_eo)/rt

u (H°-Eg)/RT A S°/R A A

0

1 5 1 Q7 9 9'^ft 0.,83519 7 A R^.Q 1 9 A 9 Oi,98985

0 ,351 1^21734 237 0<,83475 45 2,05209 282 0.,98980 6

0 • 3?2 1 O 1 A O "7 0 ^ "7 0 ,83430 0 n A 0 ^ 7 ^01 0 ,98974 0

0 • 353 1 • 2 1 260 236 0.,83386 2 • O^OH-o 0 Q A 2 0 0 0.,98968 6

0 »354 1 .21024 235 0(,83342 2 , 04366 0 T rt 279 0 ,98962 6

0

o c c

• 395 1 •2U7o9 0 ^ A 0(,83298 7 A A A 0 7 7 7 Q A / 0 0 ,98956 7

0 .356 1,20555 234 0.,83254 44 2,03809 278 0 ,98951 6

0 »357 1 o rt o o 1 1 ,2032

232 c<,83210 A A 7 A 0 K -a 1 ^, 0 333 X 77A £.10 0 ,98945 0

0 1 • ^ UQO 7

7 0 0.,83166 7 A ^> 7R R A7 71 A0 0.,98939 iL

0 • ^3 V

1 1 Ofl(> 7 1 , X 703 / Cat. 0<,8312^ 7 A 7070 A77A1 0 0 ,98933 C.0

0

eta f\ 1 1 OA 7 A X , 1 70<C0 c J X 0<,83078 7 A 77 n^i A7711 / t 0 ,98927

0 .361 1.19395 229 0(,83034 44 2,02429 274 0 ,98921 6

0 .362 1 ,19166 229 0,,82990 /. A 44 2,02155 273 0,,98915 6

0 .363 1 • 18937 228 0,,82946 44 2,01882 272 0.,98909 6

0 .364 1 ,18709 228 0.,82902 44 2,01610 271 0,,98903 6

0 i365 1,18481 226 0 4,82858 44 2,01339 271 0

\J t,98897 6

0 .366 1^18255 226 0,,82814 44 2,01068 269 Oi,9889

6

0 i367 1 .18029 225 0«,82770 44 2, 00799 269 Oi,98885 6

0 .368 1 ,17804 225 Oi,82726 44 2, 00530 269 0<,98879 6

0 1 369 1 •17579 224 0<,82682 2,00261 267 0.,98873 0

0<»370 1 1 7 O R C £.£.i 0.,82638 A A 1 Q 0 0 0 A AO7 A 71 Oi,98867 0

0 371 1,17132 222 0*,82594 43 1,99727 266 Oi,98861 6

0

O T O

» 372 "DOT £ ^ X 0.,82551 A A 1 0 0 A A 1 X , 77 'fO X 0 A A. ^ DO Oi,98855

0( o ^ o

ft 373 X • X66o9 CC X 0.,82507 A A 1 0 0 1 Q R X , yy X 73 0 A 2oH' Oi,98849 7

/ 0 .374 X , X6408 *5 0 A 2^0 0<,82463 A A 1 Q 0 Q ^ 1 X , 7073 X 20^ 0 <L A

Oi A 0 0 A "1 ,9884 2 0

0 .375 X • X62H8 •5 0 a

Oi,82419 A A 1 0 Q A A 7 X , 7000

O A ^ <1 0^ Oi,98836 /*0

0 ,376 1.16028 218 0. 82375 43 1,98404 263 Oi,98830 6

0 lilt 1X

1 R ft 1 o • 1. 7 O X u ^ X7 0.,82332 S-H X • "0 X*T

^9 A0 c9 Oi,98824

u X • X 7 ? 7 X ^7 X17f 0. 82288 •+•+ X

1 ^ Q7fl7Q 7 1 0 t y ^ 0 X Oi,98818

u X # X J f *T ? 1 7 0

Q 7 7 A A AA X1 - <?7f» 1 ft • 7 r 0 X 0 £. 0 Oi 0 Q fi 1 7

, 700 X A 7

u X • X ^ X ? 1 ^ X 0 0<,82200 X • 7 / J) -1

^? A0 nu Oi,98805 0

0 .381 1^14941 215 0.,82157 44 1,97098 259 Oi,98799 6

0

^ Q O

ft ^oc i , Xf f to t X f 04 82113 A_/i 1 Q A n a Q X , vbo 37 0 0 Oi,98793 D

0

o o o

. 383 1 1 A K 1 0

X • XM-3 X2 0 1 A 2 X*t 0«,82069 X ,96381 ICQ 25o Oi,98787 7

0

Q O A .304 X

XH ^70 7 1 A

<: X^f 0. 82026 / A X , Vo 32 3

0 p 2 5o Oi,98780 0

0

1 O R 1 1 / A Q >! X , X'fOoH 7 17 0< 81982 A "a 1 Q A A£. 7 i , 76OO / 2 1> / Oi,98774 0

0 .386 1,13872 212 Oi,81939 44 1,95810 255 Oi 98768 7

0 .387 X , X3do0 Oil 2X1 Oi,81895 1 0 C A C d

X , 7 7 7? 7

0 C

Oi,98761 6

0 » 388 1 ,13449 oil 211 0.,81851 43 1,95300 254 Oi,98755 7

0 .389 1 • 13238 210 Oi,81808 44 1 ,95046 Oi,98748 6

0 .390 1 • 13028 209 0<,81764 A -a 43 1 ,94792 0 c 0 253 Oi,98742 6

0 .391 1,12819 209 0 ,81721 44 1,94539 252 0.,98736 7

0 • 392 X , X 2o X 0

0 0 2 Oo 0.,81677 A 1 1 0 /. '5 0 *7 2P 1 0.,98729 6

0 • 393 1 1 O A A T 0 0 208 Oi,81634 A A if if 1 • 94036 2 51 0(,98723 7

0

Q / 1X , 19X <1 1X7HOA 2 Oo 0.,81590 'f3 1 # 7 3 / 00 C^ A 250 Oi,98716

0 • 395 1 1 1 A 0 0

X » X X988 206 0<,81547 A A 4^^ 1 0 c 0 c 1,93535 2 50 Oi,98710 7

0 • 396 1.11782 206 0 ,81503 43 1.93285 249 Oi,98703 6

0 • 397 1,11576 205 0 ,81460 43 1,93036 248 0.,98697 7

0 • 398 1,11371 204 0 ,81417 44 1,92788 248 0.,98690 6

0 • 399 1.11167 2 04 0,,81373 43 1,92540 247 0.,98684 7

0 • 400 1.10963 0 ,81330 1,92293 0 ,98677

37
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

uA o / xt uA no /t! V

uA

0.400 1.10963 203 0,81330 44 1,92293 246 6

0.401 1.10760 202 0,81286 43 1,92047 246 0.98671 7

0.402 1.10558 202 0,81243 43 1,91801 245 0.98664 6

0.403 1.10356 201 0.81200 44 1,91556 245 0.98658 7

0.404 1.10155 201 0.81156 43 1.91311 244 0.98651 7

0.405 1,09954 200 0.81113 43 1.91067 243 0.98644 6

0.406 1.09754 199 0.81070 43 1.90824 242 0.98638 7

0.407 1.09555 199 0.81027 44 1.90582 242 0.98631 7

0.408 1.09356 198 0.80983 43 1.90340 242 0.98624 6

0.409 1.09158 198 0,80940 43 1.90098 241 0.98618 7

0.410 1,08960 197 0.80897 43 1.89857 240 0.98611 7

0.411 1.08763 196 0.80854 43 1.89617 240 0.98604 7

0.412 1.08567 196 0.80811 44 1.89377 239 0.98597 6

0.413 1.08371 195 0.80767 43 1.89138 238 0.98591 7

0.414 1.08176 195 0.80724 43 1,88900 238 0.98584 7

0.415 1.07981 194 0.80681 43 1.88662 237 0.98577 7

0.416 1.07787 194 0.80638 43 1.88425 237 0.98570 7

0.417 1,07593 193 0.80595 43 1.88188 236 0.98563 6

0.418 1.07400 192 0.80552 43 1,87952 235 0.98557 7

0.419 1.07208 192 0.80509 43 1,87717 235 0.98550 7

0.420 1,07016 191 0.80466 43 1,87482 235 0.98543 7

0.421 1,06825 191 0.80423 43 1,87247 233 0.98536 7

0.422 1,06634 190 0.80380 43 1,87014 233 0.98529 7 0.423 1 ,06444 190 0.80337 43 1,86781 233 0.98522 7

0.424 1,06254 189 0.80294 43 1.86548 232 0.98515 7

0,425 1,06065 188 0.80251 43 1.86316 232 0.98508 7

0.426 1,05877 188 0.80208 43 1,86084 231 0.98501 7

0.427 1,05689 188 0.80165 43 1,85853 230 0.98494 7

0.428 1,05501 187 0.80122 43 1,85623 230 0.98487 7

0.429 1,05314 186 0.80079 43 1,85393 229 0.98480 7

0.430 1,05128 186 0.80036 43 1,85164 229 0.98473 7

0.431 1 ,04942 185 0.79993 43 1.84935 228 0.98466 7

0.432 1.04757 185 0.79950 42 1.84707 228 0.98459 7

0.433 1.04572 185 0.79908 43 1.84479 227 0.98452 7

0.434 1.04387 183 0.79865 43 1,84252 226 0.98445 7

0.435 1.04204 184 0.79822 43 1,84026 226 0.98438 7

0.436 1.04020 182 0.79779 43 1,83800 226 0.98431 7

0.437 1.03838 182 0.79736 42 1,83574 225 0.98424 7

0.438 1,03656 182 0.79694 43 1,83349 224 0.98417 8

0.439 1,03474 181 0.79651 43 1.83125 224 0.98409 7

0.440 1,03293 181 0.79608 43 1.82901 224 0.98402 7

0.441 1,03112 180 0.79565 42 1,82677 222 0.98395 7

0.442 1,02932 180 0.79523 43 1,82455 223 0.98388 7

0.443 1,02752 179 0.79480 43 1.82232 222 0.98381 8

0.444 1,02573 179 0.79437 42 1,82010 221 0.98373 7

0.445 1,02394 178 0.79395 43 1,81789 221 0.98366 7

0.446 1,02216 177 0.79352 42 1,81568 220 0.98359 8

0.447 1,02039 178 0.79310 43 1,81348 220 0.98351 7

0.448 1 ,01861 176 0.79267 43 1.81128 219 0.98344 7

0.449 1,01685 177 0,79224 42 1, 80909 219 0.98337 8

0.450 1 ,01508 0.79182 1, 80690 0.98329

38
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

X -(f°-e°)/rt

u A (h°-e°)/rt

u A s°/R A C°/R

P

A

0.450 1.01508 175 0,79182 43 1.80690 2 18 0,98329 7

0.451 1.01333 176 0.79139 42 1.80472 218 0.98322 7

0.452 1.01157 174 0.79097 43 1. 80254 217 0.98315 8

0.453 1.00983 175 0.79054 42 1,80037 217 0.98307 7

0.454 1.00808 173 0.79012 43 1,79820 2 16 0.98300 7

0.455 1 ,00635 174 0.78969 42 1,79604 216 0.98293 8

0.456 1,00461 173 0.78927 43 1,79388 215 0.98285 7

0.457 1 ,00288 172 0,78884 42 1.79173 215 0.98278 8

0.458 1.00116 172 0.78842 42 1.78958 214 0.98270 7

0.459 0,99944 171 0.78800 43 1.78744 214 0.98263 8

0.460 0,99773 171 0,78757 42 1.78530 213 0.98255 7

0.461 0,99602 171 0.78715 43 1.78317 213 0.98248 8

0.462 0,99431 170 0.78672 42 1.78104 213 0.98240 7 0.463 0 ,99261 169 0.78630 42 1.77891 212 0.98233 8

0.464 0 ,99092 170 0.78588 43 1.77679 211 0.98225 8

0.465 0,98922 168 0.78545 42 1 .77468 211 0.98217 7

0.466 0,98754 168 0.78503 42 1.77257 211 0.98210 8

0.467 0,98586 168 0.78461 42 1.77046 210 0.98202 7

0.468 0,98418 168 0.78419 43 1.76836 209 0.98195 8

0.469 0,98250 166 0.78376 42 1,76627 209 0.98187 8

0.470 0,98084 167 0.78334 42 1,76418 209 0.98179 7

0.471 0,97917 166 0.78292 42 1,76209 208 0.98172 8

0.472 0,97751 165 0.78250 : 43 1,76001 208 0.98164 8

0.473 0.97586 166 0.78207 42 1,75793 2 07 0.98156 7

0.474 0,97420 164 0.78165 42 1,75586 207 0,98149 8

0.475 0,97256 165 0.78123 42 1 ,75379 207 0.98141 8

0.476 0,97091 163 0.78081 42 1,75172 205 0.98133 8

0 .477 0,96928 164 0.78039 42 1 ,74967 206 0.98125 7

0.478 0 • 96764 163 0.77997 42 1 , 74761 205 0.98118 8

0.479 0,96601 162 0.77955 42 1 ,74556 2 05 0.98110 8

0.480 0,96439 162 0.77913 42 1,74351 204 0.98102 8

0.481 0,96277 162 0.77871 42 1.74147 203 0.98094 8

0*482 0,96115 161 0.77829 42 1.73944 204 0.98086 8

0.483 0 ,95954 161 0.77787 42 1.73740 203 0.98078 7 0.484 0 ,95793 161 0. 77745 42 1 .73537 202 0.9807 1 8

0 . 485 0 ,95632 160 0.77703 42 1 .73335 202 0.98063 8

0.486 0,95472 159 0.77661 42 1.73133 202 0.98055 8

0.487 0 ,95313 159 0.77619 42 1.72931 201 0.98047 8

0.488 0,95154 159 0.77577 42 1.72730 200 0.98039 8

0.489 0,94995 158 0.77535 42 1,72530 201 0.98031 8

0.490 0,94837 158 0.77493 42 1,72329 199 0.98023 8

0.491 0,94679 158 0.77451 42 1,72130 200 0.98015 8

0.492 0,94521 157 0.77409 42 1,71930 199 0.98007 8

0.493 0,94364 157 0.77367 42 1,71731 198 0.97999 8

0 .494 0,94207 156 0.77325 41 1,71533 199 0.97991 8

0.495 0,94051 156 0.77284 42 1,71334 197 0.97983 8

0.496 0,93895 156 0.77242 42 1,71137 198 0.97975 8

0.497 0,93739 155 0.77200 42 1,70939 197 0.97967 8

0.498 0.93584 154 0.77158 42 1,70742 196 0.97959 8

0.499 0,93430 155 0.77116 41 1,70546 196 0.97951 9

0.500 0,93275 0.77075 1,70350 0.97942

39
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

X -(f°-e°)/rt A (H'>-e°)/rt A s°/R A co/r

P

A

0.500 0.93275 154 0. 77075 42 1.70350 196 0.97942 8

0.501 0.93121 153 0. 77033 42 1.70154 195 0.97934 8

0.502 0.92968 153 0. 76991 41 1.69959 195 0.97926 8

0.503 0.92815 153 0. 76950 42 1.69764 194 0.97918 8

0.5 04 0.92662 153 0« 76908 42 1.69570 194 0.97910 8

0.505 0.92509 152 Ot 76866 41 1.69376 194 0.97902 9

0.506 0.92357 151 d« 76825 42 1.69182 193 0.97893 8

0.507 0.92206 152 o« 76783 42 1.68989 193 0.97885 8

0.508 0.92054 150 0« 76741 41 1.68796 193 0.97877 8

0.509 0.91904 151 0. 76700 42 1.68603 192 0.97869 9

0.510 0.91753 150 0« 76658 41 1.68411 191 0.97860 8

0.511 0.91603 150 0. 76617 42 1.68220 192 0.97852 8

0.512 0.91453 149 0« 76575 41 1.68028 191 0.97844 9

0.513 0,91304 149 0. 76534 42 1.67837 190 0.97835 8

0.514 0.91155 149 Ot 76492 42 1.67647 190 0.97827 8

0.515 0.91006 148 Ot 76450 41 1.67457 190 0.97819 9

0.516 0.90858 148 Ot 76409 41 1.67267 189 0.97810 8

0.517 0,90710 148 Ot 76368 42 1,67078 189 0.97802 8

0.518 0.90562 147 Ot 76326 41 1,66889 189 0.97794 9

0.519 0.90415 146 Ot 76285 42 1,66700 188 0.97785 8

0.520 0.90269 147 Ot 76243 41 1.66512 188 0.97777 9

0.521 0.90122 146 0. 76202 42 1.66324 188 0.97768 8

0.522 0.89976 146 0. 76160 41 1,66136 187 0,97760 9

0.523 0.89830 145 0. 76119 41 1,65949 186 0,97751 8

0.524 0,89685 145 0. 76078 42 1,65763 187 0,97743 9

0.525 0.89540 145 Ot 76036 41 1.65576 186 0,97734 8'

0.526 0.89395 144 0. 75995 41 1,65390 185 0,97726 9

0.527 0,89251 144 0. 75954 42 1.65205 186 0,97717 8 0.528 0.89107 144 0. 75912 41 1.65019 184 0.97709 9

0.529 0.88963 143 0. 75871 41 1.64835 185 0,97700 8 0.530 0.88820 143 Ot 75830 41 1.64650 184 0,97692 9

0.531 0.88677 142 Ot 75789 42 1,64466 184 0,97683 9

0.532 0.88535 143 0. 75747 41 1,64282 183 0,97674 8

0.533 0.88392 141 0. 75706 41 1,6409.9 183 0.97666 9

0.534 0.88251 142 Ot 75665 41 1,63916 183 0,97657 8 0.535 0.88109 141 0. 75624 41 1.63733 182 0,97649 9

0.536 0.87968 141 Ot 75583 41 1,63551 182 0,97640 9

0.537 0.87827 140 0. 75542 42 1,63369 182 0,97631 9

0.538 0.87687 141 Ot 75500 41 1,63187 181 0.97622 8

0.539 0.87546 139 0. 75459 41 1,63006 181 0.97614 9

0.540 0.87407 140 Ot 75418 41 1,62825 181 0.97605 9

0.541 0.87267 139 Ot 75377 41 1,62644 180 0.97596 8 0.542 0.87128 139 Ot 75336 41 1,62464 180 0.97588 9

0.543 0.86989 138 Ot 75295 41 1,62284 179 0,97579 9

0.544 0.86851 139 Ot 75254 41 1,62105 180 0,97570 9

0.545 0.86712 137 Ot 75213 41 1,61925 178 0,97561 9

0.546 0.86575 138 0. 75172 41 1,61747 179 0,97552 9

0.547 0,86437 137 0* 75131 41 1,61568 178 0,97543 8

0.548 0,86300 137 0. 75090 41 1,61390 178 0,97535 9

0.549 0,86163 137 0. 75049 41 1,61212 177 0.97526 9

0.550 0.86026 0. 75008 1.61035 0,97517

40
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

T -('f°-e°') /rt A >-e°)/rt A S°/R A C^R A

0.550 0.86026 136 0 i75008 41 1,61035 177 0

O "7 K 1 "7 9

0.551 0.85890 136 0 ,74967 41 1.60858 177 0

Q 7 r» Q , V too a 9

0.552 0.85754 135 0 ,74926 40 1.60681 177 0 9

0.553 0.85619 136 0 ,74886 41 1.60504 176 0 ,97490 9

0.554 0.85483 134 0 ,74845 41 1.60328 176 0 ,97481 9

0.555 0.85349 135 0<,74804 41 1.60152 175 0

O ~7 / *7 T 9

0.556 0.85214 134 0.,74763 41 1.59977 175 0 ,97463 9

0.557 0.85080 134 0(,74722 41 1.59802 175 0

Q "7 A Q A 9

0.558 0.84946 134 0.,74681 40 1.59627 175 0 ,97445 9

0.559 0.84812 133 0.,74641 41 1.59452 174 0 ,97436 9

0.560 0.84679 133 0.,74600 41 1.59278 173 0 1 07Zi 7 1 *r ^9 71 9

0.561 0.84546 133 0 ,74559 41 1.59105 174 nu

.

1 7 f H 1X AO 9

0.562 0.84413 133 0 ,74518 40 1.58931 173 u

- Q74ft Q 9

0.563 0.84280 132 0.,74478 41 1.58758 173 0 ,97400 9

0.564 0.84148 132 0.,74437 41 1,58585 172 0 ,97391 9

0.565 0.84016 131 0.,74396 41 1.58413 173 r\0

Q 7 -a o r> 9

0.566 0.83885 131 0.,74355 40 1.58240 172 0< O 7 "3 7 ^ 10

0.567 0.83754 131 0.,74315 41 1.58068 171 0

0~t O, C. '1

1 7 t DO D 9

0.568 0.83623 131 0.,74274 40 1.57897 171 0.,97354 9

0.569 0.83492 130 0.,74234 41 1.57726 171 0<,97345 9

0.570 0.83362 130 0,,74193 41 1.57555 171 Oi O "7 'a CI £. 9

0.571 0.83232 130 0.,74152 40 1.57384 170 04 Q 7 5 7 10

0.572 0.83102 129 0. 74112 41 1.57214 170 ftU i.

1 Q7

7f ^

O I1 71 9

0.573 0.82973 129 Oi.74071 40 1.57044 170 0.,97308 9

0.574 0.82844 129 Oi,74031 41 1.56874 169 0.,97299 9

0.575 0.82715 129 Oi,73990 40 1.56705 169 0 < 7 1 £.7 [J 10

0.576 0.82586 128 Oi 73950 41 1.56536 169 U 1 Q 70 Q ft 9

0.577 0,82458 128 0. 73909 40 1.56367 168 U 1t^fCf 0 7^71i 9

0.578 0.82330 128 Oi,73869 41 1.56199 168 0<,97262 9

0.579 0.82202 127 0.,73828 40 1,56031 168 0.,97253 10

0.580 0.82075 127 Oi,73788 41 1,55863 168 n

u < 1 7 f ^ J? 9

0.581 0,81948 127 Oi 73747 40 1,55695 167 U i.07234 1 7 1 -J '-r 10

0.582 0.81821 126 Oi 73707 41 1.55528 167 U 11 7 1 ^ ^ H* 9

0.583 0,81695 127 Oi,73666 40 1.55361 167 0<,97215 9

0.584 0.81568 126 0.,73626 40 1.55194 166 Oi,97206 10

0.585 0,81442 125 Oi,73586 41 1.55028 166 Oi 0 "7 1 0 £.,

y

1 ly9

0.586 0,81317 126 Oi,73545 40 1.54862 166 Oi 97187 10

0.587 0.81191 125 Oi,73505 40 1,54696 165 Oi,97177 9

0.588 0,81066 124 Oi 73465 41 1.54531 165 Oi,97168 10

0.589 0,80942 125 Oi,73424 40 1.54366 165 Oi,97158 9

0.590 0,80817 124 Oi,73384 40 1.54201 164 Oi,97149 10

0.591 0,80693 124 0 ,73344 40 1.54037 165 0 ,97139 9

0.592 0.80569 124 0.,73304 41 1.53872 163 0<,97130 10

0.593 0,80445 123 0.,73263 40 1.53709 164 0<,97120 9

0.594 0.80322 123 0.,73223 40 1.53545 163 0.,97111 10

0.595 0.80199 123 0.,73183 40 1.53382 163 0 ,97101 9

0.596 0.80076 123 0«,73143 40 1.53219 163 0 ,97092 10

0.597 0.79953 122 Oi,73103 41 1.53056 163 0.,97082 10

0.598 0,79831 122 0 ,73062 40 1.52893 162 0.,97072 9

0.599 0.79709 122 0.,73022 40 1,52731 162 0<,97063 10

0.600 0,79587 0 ,72982 1,52569 0 ,97053

638951 0-62-4

41
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z -(f°-e°)/rt A (h°-e°)/rt A S°/R A C^R A

0,600 0,79587 121 0.72982 40 1,52569 161 0,97053 9

0 .7Q4AA X ^ c n . 7 7Q4 ? 4ft 1 .67 4ftfl 1 ft 9 X A 07AZlA 1 AiO

n A n 5 1 ? 1 X ^ 1

C\ 7 9 On 9 U , 1 c.7\J C to 1 A 1 /\ O ^ Q /. 0 • V 70 4 10

n 7 0 ? ? 1x^U7n A 7 ^ ft A ^ f 0

1 R 9 AQ 1 A 1 X O 1 A Q 7 r» 9 /i 9

ft . n/. U • O n 70 1 rc^ X ^ X n 7 7 B ? 7 4 A 1 A A A O 7 A 1 K 1 Axo 0,605 0,78982 120 0,72782 40 1,51764 160 0,97005 10

O - ft Oft \J % 1 \J O \J 12 n ft .7774? 4n X1 , J61X Aft4 O 1X Aft ou ftU , QAQQ6 7 o 7 7 3 1 A

0,607 0 ,78742 1 2n n • 7?7n7 40 X1.61 , -7 X 444 ^HH 1X Aft o u ftU ,

. OAQR 7 o 7 O y6 Q

* 7 0,608 0 .78622 1 19 0 .72662 40 1.51284 X % ^ X ^ O *r X1 59^ 7 ft. 0A97A 1 A

0 ,609 0,78503 119 0,72622 40 1,51125 159 0.96966 10X \J 0,610 0.78384 119 0,72582 40 1,50966 159 0,96956 10

0,611 0,78265 118 0,72542 40 1, 50807 159 0,96946 10X u 0,612 0.78147 119 0,72502 40 1. 50648 158 0.96936 9

0.613 0.78028 1 18 0,72462 40 1* 50490 158 ft. 96927 1X ftu

n -ft 14 0.77910 118 0 , 72422 40 1 * 50332 158 0.9ft9 1

U • 7 O 7 X r 1XUft 0,615 0.77792 117 0,72382 40 1,50174 157 0,96907 10

lift X X o n . 7 7 ? 4 7 4ft 1X ,

. 6 ftft uu 1X 7f 1 67 A . 9ftftQ7 1lUft n . 6 17 0 »11551 1 17 0.77'?n7 39 1 . 408Aft X1 57J I 0 - 9ft fifl7 1 ft 1 u

U , O X o 1 1

X X o ft . 777A'? 4ft 1 . 407n3 1 67 0 * 9ftfl7 7 1X ft(J n . 6 19 0,77324 117 0.72723 4ft 1 . 49546 156 0 * 9ft flft 7 1X ftU

0,620 0,77207 116 0,72183 40 1,49390 156 0.96857 10

W , (J ^ X 0.77091 1 1

n . 72 143 4ft 1 .40234 1X 56w O*. 9ftft47 1 ft 1 u

u , o ^ <c n 7ftQ7S 1X X1 Ao 1 40ft7ft 1 A Q A R "^7 1 A

A A ^ 'a u • / O O ^ 7 X11aX OA 7 9 A A A /i. A 1 AQ Q 7 1 , Ho 7^ 5 1 :>o A Q A ft 9 7 1 A10

u , O X116X 37 A "7 9 A 9 Zl 4ft 1 4A7A7 X 9 9 A OA ft 1 7 1 A10

0,625 0,76628 115 0,71984 40 1,48612 155 0,96807 10

n A ? A n 7 A ^ 1 116 X X 17 A * 7 1 Q^/i. ^0 1X ,. 4R467 *+ O *+ 3 f 1 64 A . Qft 79 7 U # 7 O r 7 f 11 AU

n . A 7 7 n •7A39fl 1 14 W • f X 7 U 4ft 1 .4ft 3ft3 1 54 O * 9ft 78 7 X1 ftU

0,628 0 .76284 115 0.71865 40 1 , 48 149 154 0.96777 10X \J 0,629 0,76169 1 14 0.71825 39 1,47995 154 0.96767 10

0,630 0.76055 114 0.71786 40 1,47841 153 0.96757 10

0,631 0 .75941 113 0 . 7 1746 39 1,47688 154 0.96747 10

0.75828 1 14 ft . 7 17ft7 4n 1 . 47534 153 0.96737 10X \J n - A'?'? n * 7S7 14 11'? ft • 7 1 AA7 4ft 1 . 473R

X ^ ^ 0 . 9ft 7 97 1 O

7'Sftn 1 X112X ^ ft . 7 1 A7 7 397 X1 -, 47770 ^ f £. ^ 7 153 0U -• 9ft7 7 O f 1X 71 X X 0,635 0.75489 113 0,71588 40 1,47076 152 0,96706 10

n A^A 112 X X ^ ft . 7 1 548 39 1 , 46924 152 ft. 9AA9A 1ft X VJ 0 .75264 X113X ^ ft . 7 1 6n9 4n 1 , 46772 151 0.96686 in

0.76151 1X X1?£l ft .7 1 4AQ 30 X , ^ O U ^ X 15? ft.9AA7A inX U

0 - 76 n3Q 111 XXX ft . 7 1 43 n 4ft X1 ., 4A4A0 ^ U 7 X151X 0.9A66A 1

0,640 0,74928 112 0,71390 39 1,46318 151 0.96655 10

n ft Zi. 1 n - 74fl 1 ft XXX 1 1 1 U • • X ^ ^ X 4ft X1 ., 4A^O 1X A7O f X1 6ftu ft . OA A46 1X ftU

n ft 4 9 111 XXX \J 0 1 X ^ X X

=10 X1 ,

. 4^ AO ftU X1 71 151 X «^ X ft . 9 A A 3 6 1X ftu

n A. A 1 1 X X UA 7 19 7 9 f u X , *+ DOOO 11 36 ftU

ft . Q AA 7 6 (J , 7 DO ^ 17 X

1 X1 U • OHH XXX 111 A . 7 1 9 9 •^0 1X , 467 H P f 1X Ao X1 -76ftu ft . OA A 1

U • 7 O D X ^ X1 ftU n ft 4S n 74'^7'H X1 X1 nu A - 7 1 1 Q*^

\J % 1 X X 7 30 1 . 465 AA 1 6 ft i. J \j ft . OA Aft 4 1X ftU

0,646 0,74263 110 0,71154 40 1,45416 149 0.96594 11

0.647 0,74153 110 0,71114 39 1.45267 149 0.96583 10

0,648 0,74043 110 0.71075 39 1,45118 149 0,96573 10

0,649 0.73933 109 0,71036 40 1,44969 149 0.96563 11

0,650 0.73824 0.70996 1,44820 0.96552

42
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

X _(Fo_eo)/rt A (H°-Eg)/RT A So/R A c°/r

p

A

0 • 650 0.73824 109 0 ,70996 39 1.44820 148 0 .96552 10

0 .651 0.73715 109 0 , 70957 39 1.44672 148 0 .96542 10

0 • 652 0.73606 109 0 , 70918 40 1. 44524 148 0 ,96532 11

0 .653 0.73497 108 0(,70878 39 1.44376 148 0 ,96521 10

0 .654 0,73389 108 0 ,70839 39 1.44228 147 0 ,96511 11

0 .655 0.73281 108 0 11 70800 1 \J sj \J \J 39 1.44081 148 0 .96500 10

0 .656 0.73173 108 n 40 1.43933 147 0 .96490 11

0 ,657 0.73065 108 V < .70721 39 1,43786 146 0 ,96479 10

0 .658 0.72957 107 0 ,70682 39 1.43640 147 0 .96469 11

0 ,659 0.72850 107 0<.70643 39 1.43493 146 0 .96458 10

0 .660 0.72743 107 U (, / u O U H 39 1.43347 146 0 .96448 11

0 .661 0.72636 106 r\t)<, 1 U30P 39 1.43201 146 0 .96437 10

0 .662 0.72530 107 f\u< 7 n c 9 A 39 1.43055 145 0 .96427 11

0 .663 0,72423 106 Oi,70487 40 1.42910 146 0 .96416 11

0 .664 0.72317 106 0..70447 39 1.42764 145 0 ,96405 10

0 ,665 0.72211 106 39 1.42619 145 0 ,96395 11

0 .666 0.72105 105 70369 39 1.42474 144 0 ,96384 10

0 .667 0.72000 106 0,.70330 39 1.42330 145 0 ,96374 11

0 .668 0.71894 105 Oi,70291 39 1.42185 144 0 ,96363 11

0 .669 0.71789 105 Oi,70252 39 1.42041 144 0 ,96352 10

0 ,670 0.71684 104 0,,70213 39 1.41897 143 0 ,96342 11

0 ,671 0.71580 105 0, 70174 39 1.41754 144 0.,96331 11

0 .672 0.71475 104 70135 39 1,41610 143 0<,96320 10

0 ,673 0.71371 104 0.,70096 39 1,41467 143 0 ,96310 11

0 ,674 0.71267 104 0. 70057 39 1.41324 143 0.,96299 11

0 ,675 0.71163 104 70018 39 1.41181 142 0.,96288 11

0 ,676 0.71059 103 Oi.69979 38 1.41039 143 0..96277 10

0 ,677 0.70956 103 .69941 39 1,40896 142 0.,96267 11

0 ,678 0.70853 103 0.,69902 39 1.40754 141 0.,96256 11

0 ,679 0.70750 103 Oi.69863 39 1.40613 142 0 ,96245 1

0,,680 0.70647 103 0«.69824 39 1.40471 142 0.,96234 11

0.,681 0.70544 102 Oi,69785 39 1.40329 141 Oi,96223 11

Oi• 682 0.70442 102 Oi,69746 38 1.40188 141 Oi.96212 10

0 ,683 0.70340 102 Oi,69708 39 1.40047 140 Oi,96202 11

0 ,684 0.70238 102 Oi,69669 39 1.39907 141 Oi.9619 1 1

0<.685 0.70136 101 Oi,69630 39 1.39766 140 Oi.96180 1

0.,686 0.70035 102 0 1,69591 39 1.39626 140 Oi,96169 11

0.,687 0.69933 101 Oi 69552 38 1,39486 140 Oi,96158 11

0 ,688 0.69832 101 Oi,69514 39 1,39346 140 Oi,96147 11

0 ,689 0.69731 101 0..69475 39 1.39206 139 Oi,96136 11

0 ,690 0,69630 100 n < 38 1.39067 139 Oi.96125 11

0 ,691 0.69530 100 \ \J 7 J W 39 1.38928 139 Oi.96114 11

0 ,692 0.69430 101 U i 39 1.38789 139 Oi.96103 11

0 .693 0,69329 99 U i 38 1.38650 139 Oi 96092 11

0 ,694 0.69230 100 0,,69282 39 1,38511 138 Oi,96081 11

0 ,695 0.69130 100 0.,69243 38 1.38373 138 0. 96070 11

0 ,696 0.69030 99 Oi,69205 39 1.38235 138 0. 96059 11

0 ,697 0.68931 99 Oi,69166 39 1.38097 138 0. 96048 11

0 ,698 0.68832 99 Oi,69127 38 1.37959 137 0. 96037 11

0 .699 0.68733 99 Oi,69089 39 1.37822 138 Oi 96026 11

0 .700 0.68634 0 ,69050 1.37684 Oi.96015

43
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z -(f°-e°)/rt (H°-E° j/RT A s°/r A. C°/R

0.700 0.68634 98 0.69050 38 1.37684 137 0 ,96015 11

0,701 0.68536 99 0,69012 39 1,37547 136 0 ,96004 1

0 . 702 0.68437 98 0.68973 38 1. 3741

1 37 ,95993 1 2 0.703 0.68339 98 0.68935 39 1.37274 137 0 ,9598

11

0.704 0.68241 98 0.68896 38 1. 37137 136 0 ,95970 11

0,705 0.68143 97 0.68858 38 1.37001 136 0 ,95959 11

0.706 0.68046 98 0.68820 39 1.36865 136 0 ,95948 11

0.707 0,67948 97 0.68781 38 1.36729 135 0 ,95937 12

0.708 0.67851 97 0.68743 39 1.36594 135 0 ,95925 11

0.709 0.67754 97 0.68704 38 1.36459 136 0 .95914 11

0.710 0.67657 96 0.68666 38 1.36323 135 0 ,95903 11

0.711 0.67561 97 0.68628 39 1 . 36 188 134 0 .95892 12

n .712 0-67464 96 0.68589 38 1.36054 135 .95880 1

n - 7 10 .67368 96 0.6855

38 1.35919 134 ftw .95869

0-714 0.67272 96 0.68513 39 1, 35785 1 34 ft

yj .95858

0.715 0.67176 96 0.68474 38 1.35651 134 0 .95847 12

0,716 0,67080 95 0. 68436 38 1.35517 134 0 .95835 1

0.717 0 .66985 95 0.68398 38 1.35383 134 0 .95824 12

0.718 0,66890 95 0.68360 39 1.35249 133 0 ,95812 11

0.719 0.66795 95 0.68321 38 1.35116 133 0 .95801 11

0.720 0.66700 95 0.68283 38 1.34983 133 0 .95790 12

0 .721 0 .66605 95 0.68245 38 1.34850 133 0 ,95778 1

0.722 0 .66510 94 0.68207 38 1.34717 132 0 .95767 12

0.723 0 .66416 94 0.68169 39 1,34585 133 0 .95755 11

0.724 0.66322 94 0.68130 38 1.34452 132 0 ,95744 11

0.725 0.66228 94 0.68092 38 1.34320 132 0 ,95733 12

0.726 0,66134 94 0.68054 38 1.34188 132 0 ,95721 11

0.727 0,66040 93 0.68016 38 1.34056 131 0 ,95710 12

0.728 0,65947 93 0.67978 38 1,33925 132 0 ,95698 11

0.729 0.65854 94 0.67940 38 1.33793 131 0 ,95687 •12

0.730 0,65760 92 0.67902 38 1,33662 131 0 .95675 12

0.731 0.65668 93 0.67864 38 1,33531 130 0 .95663 11

0,732 0,65575 93 0.67826 38 1,33401 131 0 .95652 12

0.733 0.65482 92 0.67788 38 1,33270 130 0 .95640 11

0 .734 0.65390 92 0.67750 38 1,33140 131 0 .95629 12

0.735 0.65298 92 0.67712 38 1,33009 130 0 ,95617 11

0.736 0.65206 92 0.67674 38 1,32879 129 0 ,95606 12

0.737 0.65114 92 0.67636 38 1,32750 130 0 ,95594 12

0.738 0.65022 92 0.67598 38 1,32620 129 0 ,95582 11

0 .739 0.64930 91 0.67560 38 1,32491 130 0 ,95571 12

0.740 0,64839 91 0.67522 38 1,32361 129 0 ,95559 12

0.741 0 .64748 91 0.67484 38 1,32232 129 0 ,95547 11

0 .742 0 .64657 9 1 0.67446 37 1,32103 128 0 ,95536 12

0.743 0 .64566 90 0.67409 38 1,31975 129 0 ,95524 12

0.744 0.64476 91 0.67371 38 1,31846 128 0 ,95512 12

0.745 0.64385 90 0.67333 38 1,31718 128 0 ,95500 11

0.746 0.64295 90 0.67295 38 1,31590 128 0 ,95489 12

0.747 0.64205 90 0.67257 37 1,31462 128 0 ,95477 12

0.748 0.64115 90 0.67220 38 1,31334 127 0 ,95465 12

0.749 0.64025 90 0.67182 38 1,31207 128 0 ,95453 12

0.750 0.63935 0.67144 1,31079 0 ,95441

44
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

JL -t^a^-Hj'^)/ til (H0-E°)/RT A41 ^0 /r A

0.750 0,63935 89 Oi67144 38 1,31079 127 0.,95441 11

0.751 0,63846 89 0.,67106 37 1,30952 127 0 ,95430 12

0.752 0,63757 89 0.,67069 38 1,30825 126 0 ,95418 12

0.753 0.63668 89 0<,67031 38 1,30699 127 0 ,95406 12

0.754 0.63579 89 0 ,66993 37 1,30572 126 0 ,95394 12

0.755 0,63490 89 0<,66956 38 1.30446 127 0 ,95382 12

0.756 0,63401 88 0.,66918 38 1.30319 126 0 ,95370 12

0.757 0,63313 88 0.,66880 37 1.30193 126 0 ,95358 12

0.758 0,63225 89 0«,66843 38 1.30067 125 0 ,95346 11

0.759 0,63136 88 0 ,66805 37 1.29942 126 0 ,95335 12

0.760 0,63048 87 0.,66768 38 1,29816 125 0 ,95323 12

0.761 0,62961 88 0<,66730 37 1,29691 125 0 ,95311 12

0.762 0,62873 87 Ot,66693 38 1,29566 125 0 ,95299 12

0.763 0,62786 88 0<,66655 38 1,29441 125 0 ,95287 12

0.764 0,62698 87 0(,66617 37 1,29316 125 0 ,95275 12

0.765 0,62611 87 0(,66580 38 1,29191 124 0 ,95263 12

0.766 0,62524 86 0<,66542 37 1,29067 124 0 ,95251 13

0.767 0,62438 87 Oi,66505 37 1,28943 125 0 ,95238 12

0.768 0,62351 87 Oi,66468 38 1,28818 123 0 ,95226 12

0.769 0,62264 86 Oi,66430 37 1,28695 124 0 ,95214 12

0.770 0,62178 86 Oi,66393 38 1,28571 124 0 ,95202 12

0.771 0,62092 86 Oi,66355 37 1,28447 123 0 ,95190 12

0.772 0,62006 86 Oi,66318 37 1,28324 123 0 ,95178 12

0.773 0,61920 85 Oi,6628

38 1,28201 123 0 ,95166 12

0.774 0,61835 86 Oi,66243 37 1,28078 123 0 ,95154 12

0.775 0,61749 85 Oi,66206 38 1,27955 123 0 ,95142 13

0 .776 0.61664 86 Oi,66168 37 1,27832 122 0 ,95129 12

0.777 0,61578 85 Oi,66131 37 1,27710 123 0 ,95117 12

0 .778 0,61493 84 Oi,66094 37 1,27587 122 0 ,95105 12

0.779 0,61409 85 Oi,66057 38 1,27465 122 0 ,95093 12

0.780 0,61324 85 Oi,6601.9 37 1,27343 122 0 ,95081 13

0.781 0,61239 84 Oi(65982 37 1,27221 121 0<,95068 12

0.782 0,61155 84 Oi.65945 37 1,27100 122 0<,95056 12

0.783 0.61071 84 Oi,65908 38 1.26978 121 0 ,95044 12

0.784 0.60987 84 Ot(65870 37 1.26857 121 0.,95032 13

0.785 0.60903 84 Oi(65833 37 1.26736 121 0<,95019 12

0,786 0,60819 84 Oi,65796 37 1,26615 121 0 ,95007 12

0.787 0,60735 83 0,,65759 37 1,26494 121 0 ,94995 13

0.788 0,60652 84 0 ,65722 37 1,26373 120 0 ,94982 12

0.789 0.60568 83 0 ,65685 37 1.26253 120 0 ,94970 12

0.790 0,60485 83 0,,65648 38 1.26133 120 0 ,94958 13

0.791 0.60402 83 0 ,65610 37 1.26013 120 0 ,94945 12

0.792 0.60319 82 0.,65573 37 1.25893 120 0 ,94933 13

0,793 0.60237 83 Oi,65536 37 1,25773 120 0 ,94920 12

0.794 0.60154 82 Oi,65499 37 1,25653 119 0 ,94908 13

0,795 0,60072 83 Oi,65462 37 1,25534 119 0.,94895 12

0,796 0.59989 82 Oi,65425 37 1,25415 120 0 ,94883 12

0,797 0.59907 82 0 .65388 37 1,25295 119 0 ,94871 13

0.798 0.59825 82 0 ,65351 37 1,25176 118 0 ,94858 12

0.799 0.59743 81 0 ,65314 37 1,25058 119 0 ,94846 13

0.800 0.59662 0 ,65277 1,24939 0 ,94833

45
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

X -(F0-E°)/RT (h°-eo)/rt A s°/R A c°/r

p

I

U • 7 7 D ft 7 0 .65277 J f 1 . 1 1 7 J> lift 0

Q A Q Q Q

• y *f 0 5 J

0.801 0.59580 81 0 .65240 37 1.24821 119 0 .94821 13

0.802 0.59499 81 0 .65203 36 1.24702 118 0 ,94808 12

0.803 0.59418 81 u

-• ASO 7 1X A7O f 37 1.24584 118 0 .94796 13

0.804 0.59337 81 0 .65130 37 1.24466 118 0 .94783 13

0.805 0.59256 8 1 0 .65093 37 1.24348 117 0 .94770 12

0.606 0.59175 81 0 .65056 37 1.24231 118 0 ,94758 13

0.807 0.59094 80 0 .65019 37 1.24113 117 0 ,94745 12

0.808 0.59014 8 1 1 O ~ 7 O ^ 37 1.23996 117 0 ,94733 13

0.809 0.58933 80 0 .64945 36 1.23879 117 0 ,94720 13

0.810 0.58853 80 0 .64909 37 1.23762 1 17 0 ,94707 12

0.811 0.58773 80 0 .64872 37 1,23645 117 0 .94695 13

0.812 0.58693 80 0 .64835 37 1.23528 116 0 .94682 13

0.813 0.58613 79 0 . 64798 36 1.23412 117 0 .94669 12

0.814 0.58534 80 0 .64762 37 1.23295 116 0 ,94657 13

0.815 0.58454 79 0 .64725 37 1.23179 1 16 0 ,94644 13

0.816 0.58375 79 0 .64688 37 1.23063 1 16 0 ,94631 13

0.817 0.58296 79 0 .64651 36 1.22947 116 0 ,94618 12

0.818 0.58217 79 k o ^ U X ^ 37 1.22831 115 0 ,94606 13

0.819 0.58138 79 0 .64578 36 1.22716 116 0 ,94593 13

0.820 0 .58059 79 0 ,64542 37 1.22600 115 0 ,94580 13

0.821 0.57980 78 0 .64505 37 1.22485 115 0 ,94567 12

0.822 0.57902 79 0 .64468 36 1.22370 115 0 .94555 13

0.823 0.57823 78 u

_ AZtZi 9 i O'T'f J £. 37 1.22255 115 0 ,94542 13

0.824 0.57745 78 0 ,64395 36 1.22140 114 0 ,94529 13

0.825 0 .57667 78 0 ,64359 37 1. 22026 1 15 0 ,945 16 13

0.826 0.57589 78 0 ,64322 37 1.21911 114 0 ,94503 13

0.827 0.57511 77 0 ,64285 36 1,21797 114 0 ,94490 13

0.828 0.57434 78 1 U ^ ^ 7 37 1,21683 114 0 ,94477 12

0.829 0.57356 77 0 ,64212 36 1,21569 114 0 ,94465 13

0.830 0.57279 77 0 ,64176 36 1.21455 114 0 ,94452 13

0.831 0 .57202 78 0 ,64140 37 1. 21341 1 13 0 ,94439 13

0.832 0.57124 77 0 ,64103 36 1.21228 1 14 0 ,94426 13

0.833 0.57047 76 0 ,64067 37 1.21114 113 0 ,94413 13

0.834 0.56971 77 0 ,64030 36 1.21001 113 0 , 94400 13

0.835 0.56894 77 0 ,63994 37 1.20888 1 13 0 ,94387 13

0.836 0.56817 76 0 ,63957 36 1.20775 113 0 ,94374 13

0.837 0.56741 76 0 ,63921 36 1.20662 113 0 ,94361 13

0.838 0.56665 77 u

-• AO ^ ftO ftO 17S 37 1.20549 112 0 ,94348 13

0.839 0.56588 76 0 ,63848 36 1.20437 113 0 ,94335 13

0 .565 12 75 0 ,63812 36 1.20324 112 ,94322 13

0.841 0.56437 76 0 ,63776 37 1.20212 112 0 ,94309 13

0.842 0.56361 76 0 ,63739 36 1.20100 112 0 ,94296 13

0.843 0.56285 75 0 ,63703 36 1.19988 112 0 ,94283 14

0.844 0.56210 76 0 ,63667 36 1. 19876 111 0 ,94269 13

0.845 0.56134 75 0 ,63631 37 1. 19765 112 0 ,94256 13

0.846 0.56059 75 0 ,63594 36 1.19653 111 0 ,94243 13

0.847 0.55984 75 0 ,63558 36 1.19542 111 0<,94230 13

0.848 0.55909 75 0 ,63522 36 1.19431 111 0.,94217 13

0.849 0.55834 75 0 ,63486 36 1. 19320 111 0<,94204 13

0.850 0.55759 0 ,63450 1.19209 0.,94191

46
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z -(,F°-Egj/RT Aa (h°-e°)/rt Aa

roC^R/p UA

0.850 0.55759 74 0.63450 37 1.19209 111 0 .94191 14

0.851 0.55685 75 0 .63413 36 1.19098 no 0 ,94177 13

0.852 0.55610 74 0 ,63377 36 1.18988 111 0 ,94164 13

0.853 0.55536 74 0 ,63341 36 1,18877 no 0 ,94151 13

0.854 0.55462 74 0 .63305 36 1,18767 no 0 .94138 14

0.855 0.55388 74 0 • 63269 36 1.18657 no 0 .94124 13

0.856 0.55314 74 0 ,63233 36 1,18547 no 0 .94111 13

0.857 0,55240 74 0 .63197 36 1.18437 no 0 .94098 13

0.858 0.55166 73 n 36 1,18327 109 0 .94085 14

0.859 0,55093 74 0 ,63125 36 1.18218 no 0 .94071 13

0.860 0,55019 73 36 1.18108 109 0 .94058 13

0.861 0.54946 73 0 ,63053 36 1. 17999 109 0 .94045 14

0.862 0.54873 73 ,63017 36 1,17890 109 0 .94031 13

0.863 0.54800 73 0 ,6298

36 1.17781 109 0 .94018 13

0.864 0.54727 73 0 ,62945 36 1.17672 109 0 .94005 14

0.865 0.54654 72 0 i62909 36 1.17563 109 0 •93991 13

0.866 0.54582 73 0 ,62873 36 1.17454 108 0 •93978 13

0.867 0.54509 72 0 ,62837 36 1.17346 108 0 •93965 14

0.868 0.54437 73 0 ,62801 36 1.17238 109 0 •93951 13

0.869 0.54364 72 0 .62765 36 1.17129 108 0 ,93938 14

0.870 0.54292 72 0 ,62729 36 1.17021 107 0 •93924 13

0.871 0.54220 72 0 •62693 35 1.16914 108 0.,93911 14

0.872 0.54148 72 0 i62658 36 1.16806 108 0 •93897 13

0.873 0.54076 71 0 ,62622 36 1.16698 107 0 •93884 14

0.874 0.54005 72 0 i62586 36 1.16591 108 0 ,93870 13

0.875 0.53933 71 0<•62550 36 1.16483 107 0<,93857 14

0.876 0.53862 72 0 •62514 35 1.16376 107 0.,93843 13

0.877 0.53790 71 0 •62479 36 1.16269 107 0.,93830 14

0.878 0.53719 71 0 •62443 36 1.16162 107 0 •93816 13

0.879 0.53648 71 0 •62407 35 1.16055 106 0.,93803 14

0.880 0.53577 71 0 •62372 36 1.15949 107 0 •93789 14

0.881 0,53506 70 0 •62336 36 1.15842 106 0.,93775 13

0.882 0,53436 71 •62300 35 1.15736 106 0.,93762 14

0.883 0.53365 70 » 62265 36 1.15630 106 0,,93748 13

0.884 0.53295 71 0 <(62229 36 1.15524 106 0,,93735 14

0.885 0.53224 70 0 <•62193 35 1.15418 106 Oi,93721 14

0.886 0.53154 70 0.,62158 36 1. 15312 106 0.,93707 13

0.887 0.53084 70 0 <(62122 36 1.15206 105 0« 93694 14

0.888 0,53014 70 n

> \J £. \J U \J 35 1.15101 106 0. 93680 14

0.889 0.52944 70 \j . A205

36 1, 14995 105 0.,93666 13

0.890 0,52874 69 U 35 1, 14890 105 0 ,93653 14

0.891 0,52805 70 0 .61980 36 1, 14785 105 0 •93639 14

0.892 0,52735 69 0 .61944 35 1,14680 105 0 •93625 14

0.893 0,52666 69 0 .61909 36 1,14575 105 0 •93611 13

0.894 0,52597 69 0 .61873 35 1, 14470 105 0 ,93598 14

0.895 0,52528 69 0 ,61838 36 1, 14365 104 0,,93584 14

0.896 0,52459 69 0 .61802 35 1,14261 105 0<,93570 14

0.897 0.52390 69 0 •61767 36 1,14156 104 0.,93556 14

0,898 0,52321 69 0 .61731 35 1, 14052 104 0<,93542 13

0.899 0,52252 68 0 •61696 35 1, 13948 104 0.,93529 14

0.900 0,52184 0 ,61661 1,13844 0 •93515

47
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z -(F°-Eg)/RT Aa

/ ITft TTTl ^ /Tarn (,H°-E°j/RT A A C^R A

0,900 0.52184 69 0.61661 36 1.13844 104 0 ,93515 14

0.901 0.52115 68 0.61625 35 1. 13740 103 0 ,93501 14

0 . 52047 0 . ft 1 59 n 1 . 1 36 ?? 1 04 0 ,93487 1 4

0 #903 0.51979 69 0.61554 35 1.13533 103 nV .9347'? 14

0.904 0.51910 68 0.61519 35 1.13430 104 0 ,93459 14

0.905 0.51842 67 0.61484 35 1.13326 103 0 ,93445 13

0.906 0.51775 68 0.61449 36 1. 13223 103 0 ,93432 14

0.907 0.51707 68 0.61413 35 1.13120 103 0 ,93418 14

0.908 0,51639 67 0.61378 35 1. 13017 103 \j ,93404 14

0.909 0.51572 68 0.61343 36 1. 12914 102 0 ,93390 14

0.910 0,51504 67 0,61307 35 1.12812 103 0 ,93376 14

0.911 0.51437 67 0,61272 35 1. 12709 102 0 ,93362 14

0.912 0.51370 67 0,61237 35 1. 12607 103 0 ,93348 14

0.913 0.51303 67 0.61202 35 1. 12504 102 u 14

0.914 0.51236 67 0.61167 36 1.1 2402 102 0 ,93320 14

0.915 0.51169 67 0.61131 35 1.12300 102 0 ,93306 14

0 .916 0.51102 67 0.61096 35 1 . 12 198 102 0 ,93292 14

0.917 0.51035 66 0.61061 35 1.12096 101 0 ,93278 14

0.918 0.50969 67 0.61026 35 1.11995 102 ft ,93264 14

0.919 0.50902 66 0.60991 35 1.11893 101 0 ,93250 15

0.920 0.50836 66 0.60956 35 1.11792 101 0 ,93235 14

0.921 0. 50770 66 0.60921 35 1, 11691 102 0 ,93221 14

0.922 0.50704 66 0,60886 35 1.11589 101 0 ,93207 14

0.923 0.50638 66 0.60851 35 1. 1 1488 101 0 ,93193 14

0 .924 0,50572 66 0.60816 35 1.11387 100 0 ,93179 14

0.925 0.50506 66 0.60781 35 1.11287 101 0 ,93165 14

0.926 0.50440 65 0.60746 35 1. 11186 101 0 ,93151 15

0.927 0.50375 66 0.60711 35 1.11085 100 0 ,93136 14

0.928 0.50309 65 0.60676 35 1. 10985 100 0 ,93122 14

0.929 0,50244 65 0.60641 35 1.10885 100 0.,93108 14

0.930 0.50179 65 0.60606 35 1, 10785 100 0.,93094 14

0.931 0.50114 65 0.60571 35 1. 10685 1 00 0.,93080 15

0.932 0. 50049 65 0. 60536 35 1.10585 1 00 0 ,93065 14

0.933 0 .49984 65 0.60501 35 1 • 10485 100 ft ,9305

14

0 .934 0 .49919 65 0. 60466 35 1. 10385 99 0 ,93037 14

0.935 0.49854 64 0.60431 35 1.10286 100 0.,93023 15

0.936 0.49790 65 0.60396 34 1.10186 99 0<,93008 14

0.937 0,49725 64 0. 60362 35 1. 10087 99 0(,92994 14

0.938 0 ,49661 64 0.60327 35 1.09988 99 ,92980 15

0.939 0,49597 64 0.60292 35 1.09889 99 0.,92965 14

0.940 0,49533 64 0.60257 35 1.09790 99 Oi,92951 14

0.941 0 ,49469 64 0.60222 34 1. 09691 99 0.,92937 15

0 .942 0 ,49405 64 0. 60 188 35 1.09592 98 Oi,92922 14

0.94-3 0 ,49341 64 0.60153 35 1. 09494 99 Oi,92908 15

0 .944 0 ,49277 64 0.60118 35 1.09395 98 Oi,92893 14

0 .945 0.49213 63 0. 60083 34 1.09297 98 Oi,92879 14

0.946 0.49150 64 0.60049 35 1.09199 99 Oi,92865 15

0.947 0.49086 63 0.60014 35 1.09100 98 Oi,92850 14

0.948 0.49023 63 0.59979 34 1.09002 97 Oi,92836 15

0.949 0.48960 63 0.59945 35 1.08905 98 Oi,92821 14

0.950 0.48897 0.59910 1.08807 Oi,92807

48
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

X -(F0-E°)/RT A (h°-e°)/rt A s°/r A Co/R A

0.950 0.48897 63 0.59910 35 1.08807 98 0 •92807 15

0.951 0.48834 63 0.59875 34 1.08709 97 0 .92792 14

0.952 0,48771 63 0.59841 35 1.08612 98 0 •92778 15

0.953 0.48708 63 0.59806 34 1.08514 97 0 •92763 14

0.954 0.48645 62 0.59772 35 1.08417 97 0 •92749 15

0.955 0.48583 63 0.59737 34 1.08320 97 0 •92734 14

0.956 0.48520 62 0.59703 35 1.08223 97 0 •92720 15

0.957 0.48458 62 0.59668 34 1.08126 97 0 •92705 14

0.958 0.48396 63 0.59634 35 1.08029 97 0 •92691 15

0.959 0.48333 62 0.59599 34 1.07932 96 0 •92676 15

0.960 0.48271 62 0.59565 35 1.07836 97 0 •9266

14

0.961 0,48209 62 0.59530 34 1.07739 96 0 15

0.962 0,48147 61 0.59496 35 1.07643 96 0

Q A O

• 7^o j^: 15

0.963 0,48086 62 0.59461 34 1.07547 96 0 ,92617 14

0.964 0.48024 62 0.59427 35 1.07451 96 0 92603 15

0.965 0.47962 61 0.59392 34 1.07355 96 Q ^ R ft C 14

0.966 0.47901 62 0.59358 34 1.07259 96 0 15

0.967 0.47839 61 0.59324 35 1.07163 96 0( O 0 t^ O 15

0.968 0.47778 61 0.59289 34 1.07067 95 0 ,92544 15

0.969 0.47717 61 0.59255 34 1.06972 96 0 ,92529 14

0.970 0.47656 61 0.59221 35 1.06876 95 0( 15

0.971 0.47595 61 0.59186 34 1.06781 95 0<,92500 15

0.972 0.47534 61 0.59152 34 1.06686 95 0< o o A o e 15

0.973 0.47473 61 0.59118 35 1.06591 95 0<,92470 14

0.974 0.47412 60 0.59083 34 1.06496 95 0 ,92456 15

0.975 0.47352 61 0.59049 34 1.06401 95 0<,92h^ 1 15

0.976 0.47291 60 0.59015 34 1.06306 95 /-I 15

0.977 0.47231 60 0.58981 35 1.06211 94 15

0.978 0.47171 61 0.58946 34 1.06117 94 0<,92396 14

0.979 0.47110 60 0.58912 34 1.06023 95 0.,92382 15

0.980 0.47050 60 0.58878 34 1.05928 94 0< O A 7 15

0.981 0.46990 60 0.58844 34 1.05834 94 r\

u < o p a c; O 15

0.982 0.46930 60 0.58810 34 1.05740 94 0« Q 9 a o 7 15

0.983 0.46870 59 0.58776 34 1.05646 94 0*,92322 15

0.984 0.4681

60 0.58742 35 1.05552 94 0, 92307 15

0.985 0.467560 0.58707 34 1.05458 93 0< y <:^7 ^ 15

0.986 0.46691 59 0.58673 34 1.05365 94 0« 92277 14

0.987 0,46632 59 0.58639 34 1.05271 93 0<(92263 15

0.988 0.46573 60 0.58605 34 1.05178 94 Oi.92248 15

0.989 0.46513 59 0.58571 34 1.05084 93 0..92233 15

0.990 0.46454 59 0.58537 34 1.04991 93 Oi.92218 15

0.991 0.46395 59 0.58503 34 1.04898 93 0 ,92203 15

0.992 0,46336 59 0.58469 34 1.04805 93 0<.92188 15

0.993 0,46277 59 0.58435 34 1.04712 92 Oi.92173 15

0.994 0,46218 58 0.58401 34 1.04620 93 0..92158 15

0.995 0,46160 59 0.58367 34 1.04527 93 0.,92143 15

0.996 0,46101 58 0.58333 34 1.04434 92 0..92128 15

0.997 0.46043 59 0.58299 34 1.04342 92 Oi.92113 15

0.998 0.45984 58 0.58265 33 1.04250 93 Oi 92098 16

0.999 0.45926 58 0.58232 34 1.04157 92 0. 92082 15

1.000 0.45868 0.58198 1,04065 Oi.92067

49
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z -(F°-E°)/RT A (H°-E°)/RT A S°/R A C^R A

1.000 0.45868 59 0.58198 34 1.04065 92 0 .92067 15

1 no 1 . ^ O V 7 5R ft . 6fl 1 ft4 ^4 1 . ft3Q73 0 ,92052 X1 J

X • u ^ ^ 0 .i^iTB 1 5 R ft - R 1 ft •^4 X1 • ft3fifl 1 . U ^ O O X 7 C 0 .92037 X-? 1 ^

X • U V./ ^ 0 .45693 58 W . U V 7 Vi^ 34 X] .. n37RQ J r o 7 <?7 X1 0

Q 0 n ^ o 1 "5 X J

1 • oou 0.45635 57 0.58062 33 1. 03698 92 0 .92(507 15

1.005 0.45578 58 0.58029 34 1.03606 91 0 ,91992 15

1 .006 0 .45520 58 0. 57995 34 1.03515 92 0 ,91977 16

1 . 007 0.45462 57 0.57961 34 1. 03423 91 0 ,91961 15

1.008 0 .45405 58 0.57927 34 1.03332 91 u » 7 X VH-O X15^

1 .009 0.45347 57 0.57893 33 1, 03241 91 0 ,91931 15

1.010 0.45290 57 0.57860 34 1.03150 91 0 ,91916 15

1.011 0,45233 57 0.57826 34 1. 03059 91 0 ,91901 16

1.012 0.45176 57 0.57792 33 1. 02968 91 0 ,91885 15

1.013 0.45119 57 0.57759 34 1.02877 90 ft .91870 15

1 .014 0.45062 57 0.57725 34 1.02787 91 0 .91855 15

1.015 0.45005 57 0.57691 33 1.02696 90 0 .91840 16

1.016 0,44948 57 0.57658 34 1 • 02606 91 0 ,91824 15

1.017 0 .4489

56 0.57624 34 1. 02515 9ft 7 \J 0 ,91809 15

1 - m ft 0 .44835 57 ft. 5759n 33 1.02425 907 U 0

Q 1 7 Q /i , 7 X (74 X1 ho

X # ^ ^ 7 0 .44778 56 0.57557 34 1. 02335 907 V 0 ,91778 X1 5 1.020 0.44722 57 0.57523 33 1.02245 90 0 ,91763 15

X 9 \J ^. ± 5ft ft . S74<9ft 34 1 . ft ?

9ft 7 U 0 ,91748 1X Aw 1.022 0 .44609 56 0. 57456 33 1. 02065 89 0 ,91732 15X V

X . U ^ -7 0-44553 56 0 .5742 3 34 1 • n 1 976 907 \J 0 » 7 J. f X / X15^ 1.024 0 ,44497 56 0.57389 33 1.01886 1* W V A V W w 90 0 ,91702 16

1.025 0,44441 56 0.57356 34 1.01796 89 0 ,91686 15

1 .026 0 ,44385 56 0.57322 33 1. 01707 89 0 ,91671 16

1 .027 0 ,44329 56 0.57289 34 1.01618 89 0 ,91655 15

1.028 0 .44273 55 0.57255 33 1.01529 90 r\u .

1 <37 1X ft4ft O ^ VJ 15

1.029 0 .442 18 56 0.57222 34 1.01439 89 0 ,91625 16

1.030 0.44162 55 0.57188 33 1.01350 88 0 ,91609 15

1.031 0 .44107 56 0.57155 33 1.01262 89 0 ,91594 16

1.032 0 .4405

55 0.57122 34 1.01173 89 0 .91578 15

1.033 0 .43996 55 0.57088 33 1.01084 88 ,91563 16

1 .034 0.43941 55 0.57055 34 1.00996 89 0 ,91547 15

1.035 0.43886 55 0.57021 33 1.00907 88 0 ,91532 16

1 . 036 0.43831 55 0.56988 33 1.00819 89 0 ,91516 15

1 .037 0 .43776 55 0.56955 34 1.00730 88 0 ,91501 16

X • u o 0.43721 55 0,56921 33 1. 00642 88 u

Q 1 ZlA » 7 IHO ^ 15

1 • U 7 0.43666 55 0.56888 33 1. 00554 88 0 ,91470 16

1.040 0.43611 54 0.56855 33 1.00466 88 0 ,91454 16

X . u ^ X 5S ft . Sft 8 ? ? 34 1. 00378 88 0 ,91438 15

1 n Zl 9

X . u t <i U . *T J ^ U ^

"14 ft . SATfi R 1X # nu nu ^7 Q nu 87 0 ,91423 X1 ft\J

T n ^. n .4"^ 44ft ft - 'ift S X • \J\J £-\J J 88 0 ,91407 15

1 O ii.ll. X . U S4 ft . Sf) 7 ? 7 1 - on 1 1

X • VJ U X x^ 87 0 ,91392 16

1.045 0.43339 54 0.56689 33 1« 00028 88 0 ,91376 16

1.046 0.43285 54 0.56656 34 0.99940 87 0<.91360 15

1.047 0.43231 54 0.56622 33 0.99853 87 0..91345 16

1.048 0.43177 54 0.56589 33 0.99766 87 0.,91329 16

1.049 0.43123 54 0.56556 33 0.99679 87 0.,91313 15

1.050 0.43069 0.56523 0.99592 0.,91298

50
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

1 -(f°-e°)/rt A (HO-Eo)/RT

U

so/R h Co/R

1 n ^ A •i4 A R A R 9 A Q Q R Q 9 (J • 7 7 7 A ft 7 A 1 97 1X A99fl 7 0 XO

1.051 0.43015 54 0956490 33 0.99505 87 0 ,91282 16

11 •• nU

"5 ^? n -.4P96 1 53 V • V ^ 1 33 A - 99418 87 Ayj .9 1266 X15^

1 n 0 7A R A A 9 A 3 5 A O 0 1 U • 7 7 3 3 1 8 A AU 9 1 9 A 1

• 7 X A 3 X XO1 A

1 n A U # f ^ O-? H A R A Q 1 U • 3 0 J 7 1 A O Q 9 AR U • 7 7 Af

R 7 09 1 9 "a A • y XA53 1 AXO

n A 0 p n 1 R3 A4 A R A 'J R Q A O O 1 R ft U • 7 7 A 3 O

ftOOA A0 O 1 9 1 O 1 y X A X y

1 AXO

1.056 0.42747 53 0,56325 33 0.99072 87 0 •91203 15

1.057 0 .4ii6y4 5 3 0.56292 n "a 33 A Q O Q O K 0. y oyo3 ft A OO 0

O 1 1 Q O

1 y 1 xo o lo

1 A c o 1 • 0?o A A 0 R O U . 7 O ^ 3 7 3 3 A O Q Q O O 0 . 7 H oy y OOft A 0

O 1 1 7 9

1 y X X < A

1 Alo

< c o A A O O 0 .4^r>oo 33 A o o 1 "a u . y 0 0 X 5 OOft A 0

Q 1 1 A i:. » y X x3o 1 Alo

1 • 060 A A O R t; 0* So xy

33 A Q Q 7 9 7 0 . y 0 / A f ftOOA 0

Q 1 1 A A 1 y X X40 1 Alo

1.061 0.42482 53 0.56160 33 0.98641 86 0 •91124 16

n £. O

1 • 0o2 ts -a 0 i A A 1 0 7 is A Q fi A A A u » y 0 3 33 fi A 0 3 0

O 1 1 A Q

• y X xo 0

1 A X3

1 A £. O

1 • Ooi A A O Q 7 ii. A A AO A 0 • 3o oy

A O Q A 7 A u. yo4 1 0 OOfi A 0

Q 1 AO 1 • y xoy 5 Xo

1 • 064 A O ^ 9 ^ A ^ A 1 0 . 7O0O X A O O ^ Q A U . y 0 504 oofi A 0< Q 1 A 7 7 1 y XO ( / lo

1 .065 0.42270 3^ C £ A O O 0 • t>6 0 AO /\ A O O A O 0. yo Ays o3 o<> y 106 X 16

1.066 0.42218 53 0.55995 33 0.98213 85 o<.91045 16

1 . 067 r\ A 9 1 K 3 li A R R O A 9 0 • 5 P 70 A 33 A o a 1 9 ft 0 • 7 O 1 AO ft A o o 0< O 1 A 9 Q » 7 iO A 7

1 A lo

1 • Ooo r\ A. 9 1 1 ^ 0 C. A R R O 9 O U • -5 !9 7 A 7 3 3 A Q ft A A 9 0 • 7 O A

ftO 0R 0<> 7 10 A 3

1 Alo

1 n AO 1 • Uo Vn A. 9 1 U • UO

A R R ft Q A U • 9 Z? O 7 O '!i9 ^ A A Q7Q R 7 ftO R7 A , Q7 AOO 7 U 7 7 1 11 A

1 • U r U

n iL 9 nn ft n R Rft A A AU *• Q7R7 7 f O f A9 ft S A

1 7 7 O X x

1 R^

1.071 0.41956 52 0.55831 33 0.97787 85 0..90966 16

1^ «. n7? U f ^ 52 n. 55798 33 0.97702 85 u <>. 90950 7 \J 7 ^ \J 16X \J

1 . n?'^ X . U ' n .4 1 R5 ? 33 U . 7 / W X 1 84 o <>' 90934 7 \J 7 3 *r XO1 A

i.1 •

- n74 U 1 *r U . ^ X O V w 32 0-97533 V . 7 t J 3 3 8 5 r\

V 1.

a9 1

1 7 y 7 X o 1xo

1 A 7 e; 1.0(3 A A 1 7 A Q A R R 7 A a55"a 0 . y 1 440 ft A O *f 0<. 9o90 21 A lo

1.076 0.41697 52 0.55667 33 0.97364 85 0<,90886 16

T A 7 7 1.0/7 U • H i 0*f 3 A c; C /L O A 0 . 330 54 'X 9 3a A Q 7 9 7 O 0 • 7 / A / 7ft A Oi Q A D 7 A 1 7 Qo f 01 Alo

1 . 0 ' o A A. 1 CiQ "2 J X A R f% A A 9 33'X'X A Q 7 1 OR ftO Af U

Q7 A ft R A (JO 9 f 1 A10

1 A 7 Q A A 1 RZl 9 I? cL A R c% f^ A Q U . P P 3 O 7 3 ^ A 07 1 1

U • 7 f 1 i X

ftO R9 A Q Aft ft 7 y O ^ 0

1 AlO

1 A Q A A A 1 AO A U • H 1*t7 U 3 X

C: A A CI A 3 3 A Q 7 A 9 A ftA 0*T 0« 07 UOAft A9 A9 1lOA

1.081 0.41439 51 0,55503 32 0.96942 84 0.,90806 16

1 . n R 7 1 . U O W . 7 / X 33 A . 9 A 8 A8 83 U 1.

, 97 AU 79/ 7 nU

1X 7f 1 . A n CI n .4 1 33

5 X1 . 7 J V 3? n - 9A77S 84 U i 9n77 3 X1 6o 1.084 0 .41285 51 0. 55406 33 0.96691 84 \j < 90757 X1 6\J 1.085 0.41234 5 1 0.55373 33 0.96607 83 ,90741 16

1.086 0.41183 51 0.55340 32 0.96524 84 Oi 90725 16

1 n Q 7

1 • Uo7 A A 1 1 "a o D i A R R Q O 33 0 • 7 oH'f 0

ft "3 o3 0

9070 9 16

1 ADO 1 . 0o8 A A 1 A O 1 0 . 4 i Qo X 30 A R R 9 *7 R 0 • 3 1> A / 3

•a 9

3 a A Q i "a R 7 0 • 96 3t> / Q A o*t Oi Q £ Q O yo6y 5 16

1.089 0.41031 5

0.55243 33 0.96 273 05 0< O £ 7 7 90677 16

T A Q A

1 . oy 0 A /i A O Q A u . 4uy O U 0 i A A A O 1 A U . 33 A X U 5 a A O A 1 Q A (J . yo xy (J 05Q a Q A A A 1 y Ooo X Xo

1.091 0.40929 50 0.55178 33 0.96107 83 0.,90645 17

1 n Q 5 X . ^ 7 ^ A AnR7Q R 1 A ^ A A 1 At 35 A? AU . Q7 A0 AU A*T 94 8O 53 A . 9 A A 9 ft

. 7 U O A O

1 A1 O

X . 'J 7 ^ \J 9 ^ ij O ^ O u nU • A^ A^ X1 X1 3J 335 5 A Q A Q A 1 U . 7 «3 7 •+ X 8O 35 A . 9 AA 1 9 . 7 (JO i A

110A

X . U7H A->U

ri t A A Q A U , 3 3 U 0 U

•a 9 5 A A Q A A A fl ft0 "a5 0O A A O j:. . yo3yo 1 Alo

1 A Q R A A A 7 Q c; 1 3 X A t t A A Q 0.33 04o ^ "a 55 A O K 7 7 K 0 . y 3 / 1 3Q 9 OA 0<.90580 16

1.096 0,40677 50 0.55015 32 0.95693 83 0..90564 17

1.097 0.40627 50 0.54983 33 0.95610 82 0*,90547 16

1.098 0.40577 50 0.54950 32 0.95528 83 0..90531 16

1.099 0.40527 50 0.54918 32 0.95445 82 0.,90515 16

1.100 0,40477 0.54886 0.95363 0..90499

51
Table I . Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z _(Fo_eo)/rt A (h°-e°)/rt A A A

1.100 0,40477 50 0,54886 33 0.95363 82 0.90499 17

1.101 0.40427 49 0.54853 32 0.95281 82 0.90482 16

1.102 0.40378 50 0.54821 32 0.95199 83 0.90466 16

1.103 0.40328 5 0 0.54789 33 0.95116 82 0.90450 17

1.104 0.40278 49 0.54756 32 0.95034 81 0.90433 16

1.105 0.40229 50 0.54724 32 0.94953 82 0.90417 16

1.106 0.40179 49 0.54692 33 0.94871 82 0.90401 17

1.107 0,40130 50 0.54659 32 0.94789 81 0.90384 16

1. 108 0.40080 49 0.54627 32 0.94708 82 0.90368 16

1.109 0,40031 49 0.54595 32 0.94626 81 0.90352 17

1.110 0.39982 49 0.54563 33 0.94545 82 0.90335 16

1.111 0.39933 49 0.54530 32 0.94463 81 0.90319 16

1.112 0.39884 49 0.54498 32 0.94382 81 0.90303 17

1.113 0,39835 49 0.54466 32 0.94301 81 0.90286 16

1.114 0.39786 49 0.54434 32 0.94220 81 0.90270 17

1.115 0.39737 49 0.54402 32 0.94139 81 0.90253 16

1.116 0.39688 48 0.54370 33 0.94058 81 0.90237 17

1.117 0.39640 49 0.54337 32 0.93977 81 0.90220 16

1. 118 0.39591 48 0.54305 32 0.93896 80 0.90204 16

1.119 0.39543 49 0.54273 32 0.93816 81 0.90188 17

1.120 0.39494 48 0.54241 32 0.93735 80 0.90171 16

1.121 0.39446 49 0.54209 32 0.93655 81 0.90155 17

1.122 0,39397 48 0.54177 32 0.93574 80 0.90138 16

1.123 0,39349 48 0.54145 32 0.93494 80 0.90122 17

1.124 0,39301 48 0.54113 32 0.93414 80 0.90105 17

1.125 0.39253 48 0.54081 32 0.93334 80 0.90088 16

1 .126 0.39205 48 0.54049 32 0.93254 80 0.90072 17

1.127 0.39157 48 0.54017 32 0.93174 80 0.90055 16

1. 128 0.39109 48 0.53985 32 0.93094 80 0.90039 17

1.129 0.39061 48 0.53953 32 0.93014 80 0.90022 16

1.130 0.39013 47 0.53921 32 0.92934 79 0.90006 17

1.131 0.38966 48 0.53889 32 0.92855 80 0.89989 17

1.132 0.38918 48 0.53857 32 0.92775 79 0.89972 16

1.133 0.38870 47 0.53825 32 0.92696 80 0.89956 17

1.134 0.38823 47 0.53793 31 0.92616 79 0.89939 17

1.135 0.38776 48 0.53762 32 0.92537 79 0.89922 16

1.136 0,38728 47 0.53730 32 0.92458 79 0.89906 17

1.137 0,38681 47 0.53698 32 0.92379 79 0.89889 17

1.138 0,38634 47 0.53666 32 0.92300 79 0.89872 16

1.139 0.38587 47 0.53634 32 0.92221 79 0.89856 17

1.140 0.38540 47 0.53602 31 0.92142 79 0.89839 17

1.141 0.38493 47 0.53571 32 0.92063 78 0.89822 16

1.142 0.38446 47 0.53539 32 0.91985 79 0.89806 17

1.143 0 .38399 47 0.53507 32 0.91906 78 0.89789 17

1.144 0.38352 47 0.53475 31 0.91828 79 0.89772 17

1.145 0.38305 46 0.53444 32 0.91749 78 0.89755 16

1.146 0,38259 47 0.53412 32 0.91671 79 0.89739 17

1.147 0,38212 46 0.53380 31 0.91592 78 0.89722 17

1.148 0,38166 47 0.53349 32 0,91514 78 0.89705 17

1.149 0,38119 46 0.53317 32 0.91436 78 0.89688 17

1.150 0,38073 0.53285 0.91358 0.89671

52
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

X -(f°-eo)/rt A (H0-E°)/RT

u A A co/r

p

A

1.150 0.38073 46 0.53285 31 0.91358 78 0 ,89671 16

1.151 0.38027 47 0.53254 32 0.91280 78 0 ,89655 17

1.152 0.37980 46 0.53222 32 0*91202 77 0 ,89638 17

1.153 0.37934 46 0.53190 31 0.91125 78 0 ,89621 17

1. 154 0.37888 46 0.53159 32 0.91047 78 0 ,89604 17

1.155 0.37842 46 0.53127 31 0.90969 77 0 ,89587 17

1. 156 0.37796 46 0.53096 32 0.90892 78 0 ,89570 17

1.157 0.37750 46 0.53064 31 0.90814 77 0 ,89553 17

1.158 0.37704 45 0.53033 32 0.90737 77 0 ,89536 16

1 .159 0.37659 46 0.53001 31 0.90660 77 0 ,89520 17

1.160 0.37613 46 0.52970 32 0.90583 78 0 ,89503 17

1.161 0.37567 45 0.52938 31 0.90505 77 0 ,89486 17

1.162 0.37522 46 0.52907 32 0.90428 77 0 ,89469 17

1.163 0.37476 45 0.52875 31 0.90351 76 0 ,89452 17

1. 164 0.37431 46 0.52844 32 0.90275 77 0 ,89435 17

1.165 0.37385 45 0.52812 31 0.90198 77 0 ,89418 17

1.166 0.37340 45 0.52781 31 0.90121 77 0.,89401 17

1.167 0,37295 45 0.52750 32 0.90044 76 0.,89384 17

1.168 0.37250 45 0.52718 31 0.89968 77 0 ,89367 17

1.169 0.37205 45 0.52687 32 0.89891 76 0 ,89350 17

1.170 0.37160 45 0.52655 31 0.89815 76 0<,89333 17

1. 171 0.37115 45 0.52624 31 0.89739 77 0.,89316 17

1.172 0.37070 45 0.52593 32 0.89662 76 0.,89299 17

1.173 0.37025 45 0.52561 31 0.89586 76 0.,89282 17

1.174 0.36980 45 0.52530 31 0.89510 76 0<,89265 17

1.175 0.36935 44 0.52499 31 0.89434 76 0.,89248 18

1.176 0.36891 45 0.52468 32 0.89358 76 0..89230 17

1.177 0.36846 44 0.52436 31 0.89282 75 0<,89213 17

1.178 0.36.802 45 0.52405 31 0.89207 76 0.,89196 17

1. 179 0.36757 44 0.52374 31 0.89131 76 0.,89179 17

1.180 0.36713 45 0.52343 32 0.89055 75 0.,89162 17

1.181 0.36668 44 0.52311 31 0.88980 76 0.,89145 17

1.182 0.36624 44 0.52280 31 0.88904 75 Oi 89128 18

1.183 0.36580 44 0.52249 31 0.88829 75 Oi 89110 17

1.184 0.36536 44 0.52218 31 0.88754 75 0, 89093 17

1. 185 0.36492 44 0.52187 31 0.88679 76 Oi 89076 17

1.186 0.36448 44 0.52156 31 0.88603 75 0,,89059 17

1, 187 0.36404 44 0.52125 31 0.88528 75 Oi,89042 18

1 .188 0.36360 44 0.52094 32 0.88453 74 0<,89024 17

1.189 0.36316 44 0.52062 31 0.88379 75 0.,89007 17

1.190 0.36272 43 0.52031 31 0.88304 75 0.,88990 17

1.191 0.36229 44 0.52000 31 0.88229 75 0 ,88973 18

1.192 0.36185 44 0.51969 31 0.88154 74 0.,88955 17

1.193 0.36141 43 0.51938 31 0.88080 75 0. 88938 17

1.194 0.36098 43 0.51907 31 0.88005 74 Oi,88921 17

1.195 0.36055 44 0.51876 31 0.87931 75 Oi 88904 18

1.196 0.36011 43 0.51845 31 0.87856 74 Oi 88886 17

1.197 0.35968 43 0.51814 31 0.87782 74 Oi 88869 17

1.198 0.35925 44 0.51783 31 0.87708 74 0,,88852 18

1.199 0.35881 43 0.51752 30 0.87634 74 Oi 88834 17

1.200 0.35838 0.51722 0.87560 0.,88817

53
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynzimic Functions for Values of X = hcv/kT

X -(FO-Eo)/rT A (h°-e°)/rt S°/R ti Co/r

1.200 0.35838 43 0.51722 31 0.87560 74 0.88817 17

1 ^ n 1 n "a c; 70 c; u • f yz>

r\ R 1 A O 1 V • 0 X0 7

^ X A ^ A D A 7 A4

A O D O A A 0 • o ooO 0 18

1 o n o n ^ £^ 7 'J r\ 1 £. A

0 • -> 1 OO 0 3 i 0.07412 74 f\ O O T o o O.oo7o2 17

1 o n ^ U • D f U V f :?

c; 1 £, 0 Q (J • D 1 OiC

J X A Q ^ Q O O 0 . o 73 JO 1 4 0.OO765 17

# ^ ^ O W O n . s 1 soft ^ 1 A m7t,h. U . o / ^ O f

7"^ U . O O / Ho XO

1.205 0.35624 43 0.51567 31 0.87191 74 0.88730 17

X . ^ V U 0.35581 43 0.51 U . X 53ft _/ o ^3 1X 0U .

. ft7 o f X1 17X 1 7 3 n . ft ft 7 1 3 u . o O / X 5 1 ft X 0

1.207 0.35538 43 0.51505 30 74 fl

VJ ..

ftO ft6Q O O 7 5I? 1X 7/ 1.208 0.35495 42 0 . 51475 31 O. 8A970 73 O .8867 8 1X flo

1 .209 0.35453 43 0.51444 31 0.86897 74 A . 88660 X1 7f 1.210 0.35410 42 0.51413 31 0.86823 73 0.88643 17

1 . ? 11 0 .35368 43 0.51382 30 0.86750 73 O. 88626 X1 ft\>

1X -. ?^ X12^ 0.35325 42 0.51352 31 0 . 86677 73 0 . 8 860 8 X1 7f

X . X J 0 .35283 42 0.51321 31X W • O O W *T 1 ^ 0 . ft fl 59

1 ft X o

X . t X t 0.35241 42 0 . 5 1 2<3 0 3

• u O o' ^ X r ^ 0-ftfl573 X

1 71 1.215 0.35199 43 0.51259 30 0.86458 73 0.88556 18

1 • 2 16 0.35156 42 0.51229 31 0.86385 73 0.88538 17

1.217 0.35114 42 0.51198 31 0.86312 72 0.88521 18

1.218 0.35072 42 0.51167 30 u • ^ yj t- ~ \j 73 o. 885n 3 X1 8u 1.219 0.3503 0 42 0.51137 3

0 .86167 72 0.88485 1X 7i 1.220 .0.34988 41 0.51106 30 0.86095 73 0.88468 18

1 • 1 4 2 r\ R 1 n7 A ^3 1X A A A A 9 9 U • OO U A A 7 7 A fl ft A A 1 7X f

1 7 77 L » £.C£. n liZi on 4 ? A C\ 1 A /i t\ u • D X u*t 3

•J 1 A fl (; Q Ci A U • O D V U

7 ^( J A fl O A ^ "CI 0 « O Of .3 ^ Xo

1 ^ 9 "a n '5 A Q A U O O J> 4 7 U • X U X *f 50 A fl Cs Q 7 7 7 0f C A fl fl A 1 A 0 • oo*f X -) 1 7X /

1 7 7iL U # ^ H O ^ X 4 1 *t X U • ^ U 7 O H 3 1 AU •fto ^S flO A R 7 2 A fl ft O 0 U • O O ^ 7 0

1XOfl 1.225 0.34780 42 0. 50953 30 0.85733 72 0.88380 18

X . ^ ^ V 4 1 0 • 50Q 2 3 ^3 X1 0.8 566

72 O. 8836 2 1X 7f 1.227 0 .3469 7 42 0. 50flQ2 30 0.8 5589 72 0.88345 X1 8u

1 . 2 2R Q . 3465 5 4 1 0. 5 oft A 2 3 X1 V/ • "J X 1 72 0.88327 X1 ftu 1.229 X . ^ ^ 7 0 . 34614 42 0.60831 30 72 0U «A 8^ fi3n U V/ Q7 X

1 7f 1.230 0.34572 41 0.50801 31 0.85373 72 0.88292 18

1 . 2 1 n .3453

4 1 0 . 5 077 0 30 0-85301 7 1

1 X O. 88274 1X 8u

1 . 7 2 n » 3449

4

0 . 5 0 740 J3 X1 0.85230 72 n\J *% 8ft ^ \J ? 6J A\J 1X 7f

1 . 2 0 ,34449 4 1 0 . 5 07 0 9 30 0.85158 71 0.88239 18X

1 .234 0.34408 41 0.50679 3 1 0.85087 72 0.88221 18

1.235 0.34367 41 0.50648 30 0.85015 71 0.88203 17

1 .236 0 .34326 41 0.50618 30 0 .84944 72 0.88186 18

] .237 0.34285 41 0.50588 31 0 .84872 71 0.88168 18

X • ^ ^ o 0 .34244 4 1 5 0 5 S 7 30 0.84801 71 0.88150 18

1 • ^ <^ 7 n « 34203 ^ X 3n n . 8 47 3 0 7 1 1 X A - Aft 1 "^7 X1 7f 1.240 0.34162 40 0.50497 31 0.84659 71 0.88115 18

i . Jit i n 341 2 2 4 1 U • -? U H o O A ft A5 ft fl U • O *+ J o o 7 1

/ X A . ft ft A Q 7 1 ft X o

L . ^iti: U

A "j^nB 1 . -> H UO X 4 1X 3 A A ft 4 5 1 7 7 1

/ X A . ft ft A7 Q 1X flo

1 . ^ H ^ n 34040 4H nU A - S A Zi. A A 53 X1 A - ft A44

7 1

f X A * ft ft A A 1

V/ • o o y o X

1X 7f

1 . 2i4 0 . 34000 4^ 1X U • U -> ' 30 A - ft 4 "^7 5 7

t X A . ft 8n44 X18W

1 . 24^ 0 .33Q5Q 40 (J • V -/ " 30 70 0.88026 18

1.246 0.33919 40 0.50315 30 0.84234 71 0.88008 18

1.247 0.33879 41 0.50285 31 0.84163 70 0.87990 18

1 .248 0.33838 40 0.50254 30 0.84093 71 0.87972 18

1.249 0.33798 40 0.50224 30 0.84022 70 0.87954 17

1.250 0.33758 0.50194 0.83952 0.87937

54
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z -(F°-Eo)/RT A (HO-Eo)/RT A So/R A C^R A

1 .250 0 .33758 40 0.50194 30 0.83952 70 0. 87937 18

1.251 0.33718 40 0.50164 30 0.83882 71 0.87919 18

1.252 0.33678 40 0.50134 3

0 . o 3o 1

"7 l\ 70 0 • o 790 1

1 o 18

1.253 0.33638 40 0.50103 30 0.83741 70 0.87883 18

1 .254 0.33598 40 0. 50073 30 0.83671 70 0. 87865 18

1.255 0.33558 40 0.50043 30 0.83601 70 0. 87847 18

1.256 0.33518 40 0.50013 30 0.83531 70 0.87829 18

1.257 0.33478 39 0.4998 3 30 0 . 8 346

70 O "7 Q 1 1 0 . 8 To 1

18

1 .258 0 .33439 40 0 . 4995 3 30 0.83391 69 0.87793 18

1.259 0 ,33399 40 0.49923 30 0.83322 70 0.87775 17

1.260 0.33359 39 0.49893 30 0.83252 70 0.87758 18

1.261 0.33320 40 0.49863 30 0.83182 69 0.87740 18

1.262 0.33280 39 0.49833 30 0.83113 70 0.87722 18

1.263 0.33241 40 0.49803 30 0. 83043 69 0. 87704 18

1 . 264 0.33201 39 0.49773 30 0.82974 70 0. 87686 18

1 . 265 0 .33162 39 0 .49743 30 0 . 82904 69 0.87668 18

1.266 0.33123 40 0.49713 30 0.82835 69 0.87650 18

1 .267 30 o9 O.o Ibid.

1 .268 0. 33044 39 0 . 4965 3 30 0 • o 2o97 69 0. 876 1

19

1.269 0. 33005 J9 r\ /i o ^ o O 0 . '^yoZ 3 30 i-\ O T £. O Q 0 • o 2 o2 O 69 f\ Q "7 c; o c o.o lOyo lo

1.270 0 .32966 3 9 0 • 49593 30 0. 82559 69 0.87577 18

1.271 0.32927 39 0.49563 30 0.82490 69 0.87559 18

1 .272 0 .32888 3 9 0.49533 30 0 • o242

6y /^ Q "7 K / 1 O.O lo^i 18

1 . 273 0 .32849 39 0.49503 30 0.82352 68 0.87523 18

1 .274 0.32810 39 0 • 4947 3 30 ^ o oV O.O ^ 50 5

1 O io

1.275 0.32771 38 0.49443 29 0.82215 69 r\ O ~7 A O "7 0.8 7487 18

1.276 0.32733 39 0.49414 30 0.82146 68 0.87469 18

1.277 0 • 32694 39 0.4938'^ 30 0 • o 207o 6y A Q *7 /. 1 0 • o74p

lo

1 . 278 0.32655 1 a 3 8 0 . 49354 30 0. 82009 68 /^ Q "7 A Q O O.O l^i i 18

1 .279 0.32617 39 0.49324 30 0.81941 68 0.87415 19

1.280 0.32578 38 0 .49294 29 0.81873 69 0.87396 18

1.281 0.32540 39 0.49265 30 0.81804 68 0.87378 18

1.282 0.32501 38 0.49235 30 0. 8 1736 68 0.87360 18

1.283 0,32463 38 0.49205 29 0 . 81668 68 0,87342 18

n O Q A 1 . Zo4 U . .3 T-ii 3 0 , T-V i /O 30 0 . o 16 00 OB r> Q 7 "2 9 /i

J. y

V a J c- job j-t y, Q 1 /, 0 • H-y 1 M-O iO 0 . o 1 5 J 2 0 0 0 , 0 ( JO 5 i. 0

1.286 0.32348 38 0.49116 30 0.81464 68 0.87287 18

1.287 0.32310 38 0.49086 29 0.81396 67 0. 87269 18

1.288 0,32272 38 0.49057 30 0.81329 68 0.8725 1 18

1.289 0 .32234 38 0.49027 29 0.81261 68 0.87233 19

1.290 . 0,32196 38 0.48998 30 0.81193 67 0,87214 18

1.291 0,32158 38 0.48968 30 0,81126 68 0.87196 18

1.292 0,32120 38 0.48938 29 0.81058 67 0.87178 18

1 . 293 0,32082 38 0.48909 30 0,80991 68 0,87160 19

1 .294 0 , 32044 38 0 .48879 29 0,80923 67 0.87141 18

1 .295 0, 32006 37 0.48850 30 0,80856 67 0.87123 18

1.296 0.31969 38 0.48820 30 0,80789 67 0.87105 19

1.297 0,31931 37 0.48790 29 0.80722 68 0.87086 18

1.298 0,31894 38 0,48761 30 0,80654 67 0.87068 18

1.299 0,31856 38 0.48731 29 0.80587 67 0.87050 19

1.300 0,31818 0.48702 0.80520 0.87031

55
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z -(FO-Eg)/RT A (HO-Eo)/RT

U

A so/R C°/R

P

A

1.300 0,31818 37 0.48702 30 0.80520 66 0.87031 18

1.301 0.31781 37 0.48672 29 0.80454 67 0.87013 18

1 .302 0.31 744 38 0.48643 29 0.80387 67 0.86995 19

1 * ^ u J U . J 1 / U O

"7 U • too i4 '2 A 30 A Q A O A 0. O0320 67 0.86976 18

X . J u ^ U . X O W 7

•^7

1 A A.R s a A. U . •tO J 0 7 c y A fl A 9 C, "a A06A A Q A 0 Q 0.0695 8

1 0 18

\J » J X O 3 ^ 7 A A ft A 1 0 7 A 7 6 7 0 . 06940 1 A19

1.306 0.31595 37 0.48525 29 0.80120 67 0.86921 18

i 0 jU f U • ^ X 5 " 0

0 Q 0.80053 66 0.86903 19

I • J Uo U • 3 i -> ^ 0

a 7 3 7 0 • 'fo'f 6 7 30 0. 79987 66 0.86884 18

1 o n o •a 7 3 7 29 0.79921 67 0.86866 19

1.310 0 . 3 1446 37 0.48408 30 0.79854 66 0. 86847 18

1.311 0.31409 36 0.48378 29 0.79788 66 0.86829 18

1.312 0 • 3 1 3 / 3 37 0 . 48 34y 29 0.79722 66 0.8681

19

n Oil 1 • 3 13 0 # 3 1 336 37 0 . 48 32 01 A 29 0.79656 66 0.86792 18

1 . 3

n Q 1 O O o 37 0 .4829

30 0. 79590 66 0.86774 19

1 . ^ i.7 U • ^ i ^ 36 A A Q 7 A 1 0 .40^6 i <c9 A 7 A R A 0 . 7 93 24 66 0.86755 18

1.316 0.31226 37 0.48232 29 0.79458 66 0.86737 19

1 • ^ 17 (J » J 1 J. 0 V

7 J 7 A /i Q 0 A ^ 7 0 29 A 7 A 0 A 7 0. 7 9392 66 0.86718 18

1 • ^ io 3 6

A A Q T 7 A ^ A 30 A 7 0 ^ 7 A 0 . ( 9326 66 0.86700 19

1 • 3 1

A 1 T 1 A U . ^ 1 1 1 O

"5 7 A A D 1 A /( 7 Q 29 A 7 Q 7 A A

0 . 7 9 260 A t 61) 0. 8668 1 18

1.320 A Q 1 o 7 A 3 6 0 • 48 1 1

1 A 29 0.79195 66 0 ,8666 3 19

1.321 0,31043 36 0.48086 29 0.79129 66 0.86644 19

1 .322 0,31007 37 0 . 48 0-> 7 29 0.79063 65 0.86625 18

1.323 A O A A "7 A 0 • 309 70 36 0.48028 30 0. 78998 66 0.86607 19

1 Q O A 1.3^^ A ^ A Q / 36 A A 7 A A Q 0.4 fyyo 29 A 7 0 Q 0 O 0. 789 J2 6d 0.86588 18

1 . 32d A O A D Q Q 3 6

A /i 7 A £ A

0 . 4 / y 6y 1 A 29 A 7 0 Q £ 7 0 . 7 006 7 61? 0. 86570 19

1.326 0,30862 37 0.47940 29 0.78802 66 0.86551 18

0 , 300 ^ S 3 6

A A 7 0 1 T 7 0 29 A 7 0 7 0 £ 0. 78 7 36 6p 0 .865 3 3 19

1.328 A ^ A T Q A0 , 30 7C39 3 6

A /• 7 0 0 0 0.4 7882 T A 29 0 . 78671 63 0.86514 19

1 .329 0,30753 36 0 • 4785 3 29 0.78606 65 0.86495 18

1.330 0,30717 36 0.47824 29 0.78541 65 0.86477 19

1.331 0,30681 35 0.47795 29 0.78476 65 0.86458 19

1.332 0 , 30646 36 0

^11 00 29 0.78411 65 0.86439 18

1.333 0 • 306 i 0 36 0 f f S>7 7 A 29 0 • ' 0 346 6^ IV

T O Q /i 1 .33h O 1 A K 7 /i 3 6

0 0 £.y 7 Q 0 Q 0 ADp i 0 A A C, "ii Q U • J U 5 ^ 0 A Z1.7 A 7 Q 9 Q A 7 Q 9 1 7 • /OCX/ A R A A A A A 0 » 0 0 J 0 H 1 Q

1.336 0,30503 36 0.47650 29 0.78152 64 0.86365 19

1.337 0 , 304o 1 36 /. 7 ^ O T 0 • 't- ' 6^ i 29 0 . 7 8 Oo 8

A K 65 0 • 06 3*f 61 0iy

1.338 0 ,3043

3 5

0 A 29 0.78023 64 0« o63<i

18

1.339 0,30396 36 0.47563 ^ A 29 j-i "7 "7 A C 0 0.77959 65 0.86309 19

1.3^0 0 ,30360 35 0.47534 29 0.77894 64 0.86290 19

1.341 0,30325 36 0.47505 29 0.77830 65 0.86271 18

1 . 342 A O A O Q A

0 , 30/io9 3 D

7 0 29 r\ 7 "7 7 ^ C 0 . 11 1 bo A A 64 0. o625 3

1 A19

1 . 343 0,30254 35 1 A 29 0.77701 64 0. 86234 1 A 19

A A O 1 Q 3o A 7 A 1 Q 0 , 4 / H i 07 0 cy A 7 7 A "^l 7 0 . 7 76 J 7 A64A A ft A 7 1 0 . 06 A 1

19

1 Q /i K

1 . 345 A "2 A 1 Q ^ 0 , 3U 1 o ^

e; ^ D A /i 7 "2 Q 0 7 fl A 7 7 7 7 0.1 IJ 1 i A64A A A 1 0 A 0.06196 1 ft 1

1.346 0,30148 35 0.47361 29 0.77509 64 0.86178 19

1.347 0,30113 35 0.47332 29 0.77445 64 0.86159 19

1.348 0,30078 35 0.47303 29 0.77381 64 0.86140 19

1.349 0,30043 35 0.47274 29 0.77317 64 0.86121 19

1.350 0,30008 0,47245 0.77253 0.86102

56
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z _(Fo_eo)/rt A (H°-Eg)/RT So/R A C^R

IT I

(J • J u uu o U • H- / A H D A0 ftO ft 77 7 Ci O H

A fl A 1 A 7 U . O O 1 U A 1 ft X o

1.351 0.29973 35 0.47217 29 0.77169 63 0.86084 19

1 . i^ti U # A V 7 J O n Zi 7 1 ft ft A7Q7 A - 7 7 1 7 A U • • r X A O A4OH AU

-•ftO AAA OU O 17 1 Q

1 ^ Q r\ 7 Q Q n ^ U A 7 7 U Jrt Zl7 1 s^ o U • H f 1^7 A7Q7 A 77 A A 7 U • ' r U O A

ft A * ft A AZlA U • OOUHO 1 QX 7

1 CLt^ /l 1 • 3Ph n ? O fi A Q U A V O O O J D U • H f i J u9 ft A O A 7 A Q CO U • ' 0 7^

OH A ft A A 9 7 U • OOU A

17

nU • A7 07 AO ^ J ^J Zl*+ n Zl7 1 a 7 A 7 A 7AQ'ae; U . ' O 7 J 7 ftO ^ A - ft A A A ft X1 o7

1.356 0.29799 35 0.47073 29 0,76872 64 0,85989 18

1 a r; 7

1 • 33 7

A 9 O 7 A /i U • A 7 / OH- U • H- / UH*f <cC3 A 7 A ft A ft A 11 O J A ft S^ O 7 1 1 Q

1 H C^ D ri 9 O 7 7 Q U • ^ 7 / A 7 J *+ A Zl7 A 1 A ^ 7 n 7 A74'i U • 1 O

h3 O D A fl S Q 7 U • O 7 7 7 A 1 QX 7

1 • 3p9 o o n o c ^ 0 A A A O Q 7 27 A 7 £. Q O 0 • ' 600 <: A A OH A Q C O ^ ^ 0 . o7y J J

1 oIV

1 ^ A

1 • JOO A 9 O A A n U • A 70 0 U J Zi*+ n Zi. A O o U • H-o 7 D o 7 H A 7 Aft 1 fl O J A fl tiO 1 Zl U . O 7 7 X H 1 7

1.361 0.29626 35 0.46930 29 0.76555 63 0,85895 19

1 "3 A 9 n ? Q ^ 0 1 U . ^ 7 1/ 7 X -> *+ A * Zi A Q n 1 U • " O 7 u x APO7 A 7A4<37 U • 1 O H 7 ^ ft'^ O J A . fl ^ fi 7 ft 1X O7

1 4i "3 n 9 Q f% 7 U . ^ 7 3 3 / ^ H A Zl A ft 7 9 A9 ftO A 7 A4 7 0 U • < OH^ V AO ^ A ft R <i 7 U • 7 O 3 r 1XTo

1 ^ A Zt A ZtAftZiZL U • HO O *T *+ A 7 A 7A "^A A A A R S fi S (J , O 7 O ^ o A / A £3 1 9 Q AO A 1 1 r\ A o OA A ft Q 1 Q 0 , O 7 0 i 9

1.366 0.2945A 34 0.46787 29 0.76241 63 0.85800 19

1 • -50 / A 9 Q A 9 n U # A 7 H-A U A A A 7 Q 0 • H-o r D o 90A 7 A 7 A 1 7 ft A 1 O J A ft «\ 7 ft 1 0. 07 f O i It

1 JO 0 n 9 O -2 Q A U • A 7 J 0 O A A A 7 9 O U • T-O / A 7

9 ft A O A 7A 1 1 S\ U . ' O 1 J. 3 A 'X oA ft t\ 7 A 7 0 . o 7 r O A

1 ^ A O U e A 7 J -? i A Zl A 7 A 1 U . H"0 \\JL A7Q7 A 7 A A C\ 7

(J. 1 0 1)3 A AOA7 A ft R 7Zt U • o 7 / H J

1 o1 7

1 7 n AU • A

9 Q7'^l J 11 7f A ZiA A 7 9 U . 7-0 O r A A O A 7 R QQ A U . 1 7 7 V U

fto ^ A * ft ^ 7 7Zl U • O 17 f AH i1 Q7

1.371 0.29283 34 0.46644 29 0,75927 62 0,85705 19

1 7 9 U • A 7 A *+ 7 -> H A ZlA a 1 S U . HO O 1 -3 A9ftO A 7 CI O/L C ft'^ O J7 A ft ^ A ft A U . 07 O O O i 7

1 . J f ^ 0 ? 0? 1

34 n - ZlAS ft 7 A O A * 7 sfin 7 ft? O A AU

*•fto S AA7 OO 1 X 7

1 T7Z4. U • A ^ XO ± -J _> U . HO J 7 A 7 A . 7 R 7Zirt (J • '7 f H UftO A7 A . ft S AZtft U • O ^ OHO X 7

1 ^7 R U • A 7 X •+ 0 A ^ A A O A

U . HO -> J5 U A7ftO n * 7 ^ A 7 ft V • r PO r O ft'^ o ^ A * ft *^ A 7 Q U • O ^ O A 7 X 7

1 .376 0,29114 34 0.46502 29 0.75615 62 0,85610 19

11 • J^771 1 n 9 Q n ft n U • A 7 u o u n . 4^47"^ A7 ftO U • ' -? J AO A7 A flS^Q

(J , O 3 3 7 X X 7

1 7 R U • A 7 UH- o n 4A44R A770 A 7 c ZlQ 1 U • ' 7 H 7 i AO A7 A ft S 'i7 7 U , O 7 7 r A X

1 Q7

1 • T 7Q 34 n » 4ft 4 1 A A vJ nV*. 7• S47Q ^ A 7 A7O A ^ % O J ^ ^ J X 7

1 ft n i . J 0 u u # A o 7 r 7 D •+ n 4A R R A7 ftO A 7 R A 7 AO A7 A ft R S U , O 7 7 ^ H 1 oi 7

1.381 0.28945 33 0.46360 29 0,75305 62 0.85515 19

X . o ^ U . ^ O 7 X ^ n . 7>i ?4'^ U • ' 3 A H J ft? O A nu , R'S4Qft O ^ H 7 o 1X Q7 U . ^ U U f u n * 4ft "^n n • 7 S 1 8 1 ftO 1X A . flS477 X 7

J. . J o ^ U . fc. o o ^ 34 n » 4ft ? 7 s ^ 7 n . 7 S 1 7 A ftO A7 A . R'i4'i 8 y , o H 3 o X 7

X . ^ V W . ^ O O X X nU *. 4ft H w 74ft H O U . ' ^ u o ftO 7A A . fl S4'^

Q

U , O H ^ 7 AU7 A

1.386 0.28778 33 0.46218 28 0.74996 61 0,85419 19

1.387 0 .28745 34 0.46190 28 0.74935 62 0.85400 19

1.388 0.28711 33 0.46162 29 0. 74873 61 0.85381 19

1.389 0.28678 3 3 0.46133 28 0,74812 62 0,85362 19

1.390 0 .286^-

3 3 0.46105 28 0 .7475 0 6

0,85 343 1 A19

1.391 0.28612 33 0.46077 28 0.74689 62 0,85324 19

1 • J V A

r» 9 P C^ 7 Q U • A o D r 7 •3 J A A A A A O U • Ho UH70c.y A 7 A A 9 7 U • ' HO A 1 A 1 O 1 A ft ^ "3 A ^ U . O 7 JU 77 AaO

1 Q ri 7 ft c. ^ A U # A O 3 H- 0A ZlA A 9 A U . HO U A U7 ft U . ' H7 OO A 1 O 1 A ft *^ 7ft U • 0 7 aO 71 Qi 7

i • J

r\ 9 Q 1 -5 U • A O 3 1 J A Zl*^ Q O 9 U • H3 7 7 A 7 ft A 7 A ^ A U . * H 7 U7 AO 1X A ft ^ 7 A A U . 07 aO O

1 QX 7

1 one 1 . 395 0 .28480 3 3 0 • 45964 28 0, 74444 6

0,85247 19

1.396 0.28447 33 0.45936 28 0,74383 61 0,85228 19

1.397 0.28414 33 0.45908 28 0,74322 61 0,85209 20

1.398 0.28381 33 0.45880 28 0,74261 61 0,85189 19

1.399 0.28348 33 0.45852 28 0,74200 61 0,85170 19

1.400 0.28315 0.45824 0,74139 0,85151

638951 O - 62 - 5 57
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z -(f°-e°)/rt

u A (H0-E°)/RT

U

A s°/h A Co/R

P

I

1.^00 0»28315 32 0.45824 29 0.74139 61 0.85151 19

1.^01 0.28283 33 0.45795 28 0.74078 61 0.85132 20

1 .402 0 .28250 33 0.45767 28 0.74017 60 0.85112 19

1*^03 0.28217 32 0.45739 28 0.73957 61 0.85093 19

T J. r\ i. 1 • hQh 0.^olo5 ^3 0.45711 28 0.73896 60 0.85074 19

1 «405 0 .ilO isZ i 2 0.45683 28 0.73836 61 0.85055 20

1.406 0.28120 33 0.45655 28 0.73775 60 0.85035 19

32 0.45627 28 0.73715 61 0.85016 19

1 .408 0.2805 5 32 0.45699 28 0.73654 60 0.84997 20

n /.Art 1 •409 0 ^28023 33 0.45571 28 0.73594 60 0.84977 19

1»410 0 .27990 32 0 .45543 28 0. 73534 61 0.84956 19

1.411 0.27958 32 0.45515 28 0.73473 60 0.84939 20

1 .412 0 .27926 32 0.45487 26 0.73413 60 A o /. ft 1 0. 849 19 19

1.413 r\ o "T o o A 33 0.45459 27 0.73353 60 0.84900 19

1 .414 0 .^7861 32 0.45432 28 0.73293 60 0.848820

1.415 0.27829 32 0.45404 28 0.73233 60 0.848619

1.416 0.27797 32 0.45376 28 0.73173 60 0.84842 20

1.417 0 .27765 32 0.45348 28 0.73113 60 0.84822 19

1.418 0.27733 32 0.45320 28 0.73053 59 0.84803 19

1.419 0 #27701 32 0.45292 28 f\ T O ft O A 0 • 7 299*f 60 0.84784 O A 20

1 .420 0.^7669 J 1 0.45264 27 0. 72934 60 0. 84764 1 ft 19

1.421 0.27638 32 0.45237 28 0.72874 59 0,84745 20

1 .422 0 .27606 0.45209 28 0. 72815 60 0,84725 1 ft 19

1.423 0.27574 32 0 . 45 18

28 0. 72755 59 0.84706 20

1 .424 0 .27542 3 1 0.45153 27 0.72696 60 0.84686 19

1.425 0.27511 32 0.45126 28 0.72636 59 0,84667 19

1.426 0.27479 32 0.45098 28 0.72577 60 0.84648 20

1.427 0 .27447 3 1 0.45070 28 0.72517 59 0.84628 19

1 .428 0.27416 32 0.45042 27 0.72458 59 0.84609 O ^ 20

1 .429 0 .27384 3 1 0.45015 28 0.72399 D9 A O /. C O ft O.o45o9 1 ft 19

1.430 0 .27353 32 0 .44987 28 0 . 72340 59 O.o4570 O /\ 20

1.431 0.27321 31 0.4^959 27 0.72281 59 0.84550 19

1 .432 0.27290 3 1 0 . 44932 28 0. 72222 ft Q /i R ^ 1 0« OH

O ft 20

1.433 0.27239 0 .'f'f904 28 0.72 163 39 19

1 .434 0 .27227 3 1 0.44876 27 0,72104 59 M O /. A ft O 0. 84492 O /\ 20

1.435 0.27196 31 0.44849 28 0.72045 59 0. 8447 2

O /\ 20

1.436 0.27165 31 0.44821 27 0.71986 59 0.84452 19

1.437 0.27134 32 0 .44794 28 0.71927 59 0. 84433 20

1.438 0.27102 30 .44766 28 0.71868 58 0.84413 1 ft 19

1 .439 0.27071 3 1 0,44738 27 0.71810 59 O /. O ft / 0.84394 20

1.440 0. 27040 3 1 0,4471

28 0.71751 58 0.84374 1 ft 19

1.441 0.27009 31 0.44683 27 0.71693 59 0.84355 20

1.442 0 .26978 30 .44656 28 0.71634 58 f\ O A Q O C O ft 20

1 • 443 0 . 26947 3

0.44628 27 0.71576 59 /\ O A ^ 1 C 0. 043 ID 1 ft 19

1 .444 0,26916 30 0,44601 28 0.71517 58 0.84296 O /s 20

1 .445 0.26886 3 1 0.44573 27 0. 71459 58 0. 84276 19

1.446 0,26855 31 0.44546 28 0.71401 59 0.84257 20

1.447 0.26824 31 0.44518 27 0.71342 58 0.84237 20

1.448 0,26793 31 0.44491 28 0.71284 58 0.84217 19

1.449 0.26762 30 0.44463 27 0.71226 58 0.84198 20

1.450 0.26732 0.44436 0.71168 0.84178

58
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

Y A ( HO_'RO') /-Df S°/R A C^R

1.450 0.26732 31 0,44436 27 0,71168 58 0.84178 20

1.451 0.26701 30 0,44409 28 0.71110 58 0 ,84158 19

1.452 0.26671 31 0,44381 27 0.71052 58 0 .84139 20

1.453 0,26640 30 0.44354 27 0.70994 58 0 ,84119 20

1.454 0,26610 31 0,44327 28 0.70936 58 0 ,84099 19

1.455 0.26579 30 0.44299 27 0.70878 57 0 ,84080 20

1.456 0,26549 31 0.44272 27 0.70821 58 0 ,84060 20

1.457 0.26518 30 0.44245 28 0.70763 58 0 ,84040 20

1.458 0,26488 30 0.44217 27 0.70705 57 0 ,84020 19

1.459 0.26458 31 0.44190 27 0.70648 58 0 ,84001 20

1.460 0,26427 30 0.44163 28 0.70590 58 0 ,83981 20

1.461 0,26397 30 0.44135 27 0,70532 57 0 ,83961 20

1.462 0,26367 30 0.44108 27 0,70475 57 0 ,83941 19

1.463 0,26337 30 0.44081 27 0.70418 58 0 ,83922 20

1.464 0,26307 30 0.44054 28 0.70360 57 0 ,83902 20

1.465 0,26277 30 0.44026 27 0.70303 57 0 ,83882 20

1.466 0,26247 30 0.43999 27 0.70246 57 0 ,83862 19

1 .467 0,26217 30 0.43972 27 0.70189 57 0 ,83843 20

1.468 0,26187 30 0.43945 27 0.70132 58 0 ,83823 20

1.469 0,26157 30 0.43918 27 0.70074 57 0 ,83803 20

1.470 0,26127 30 0.43891 28 0.70017 57 0 ,83783 20

1.471 0,26097 30 0.43863 27 0.69960 56 0 ,83763 20

1.472 0,26067 30 0.43836 27 0.69904 57 0.,83743 19

1.473 0,26037 29 0.43809 27 0.69847 57 0.,83724 20

1.474 0,26008 30 0.43782 27 0.69790 57 0 ,83704 20

1.475 0,25978 30 0.43755 27 0.69733 57 0.,83684 20

1.476 0,25948 29 0.43728 27 0.69676 56 0.,83664 20

1.477 0,25919 30 0.43701 27 0.69620 57 0«,83644 20

1.478 0,25889 29 0.43674 27 0.69563 56 0<,83624 20

1.479 0,25860 30 0.43647 27 0.69507 57 0<,83604 20

1.480 0,25830 29 0.43620 27 0.69450 56 0.,83584 19

1.481 0,25801 30 0.43593 27 0.69394 57 Oi 83565 20

1.482 0,25771 29 0.43566 27 0.69337 56 Oi,83545 20

1.483 0,25742 29 0.43539 27 0.69281 56 0«,83525 20

1.484 0,25713 30 0.43512 27 0.69225 57 0«,83505 20

1.485 0.25683 29 0.43485 27 0.69168 56 0<,83485 20

1.486 0.25654 29 0.43458 27 0.69112 56 0. 83465 20

1.487 0.25625 29 0.43431 27 0.69056 56 0,,83445 20

1.488 0.25596 30 0.43404 27 0.69000 56 0

83425 20

1.489 0.25566 29 0.43377 26 0.68944 56 0-w «,83405 20

1.490 0.25537 29 0.43351 27 0.68888 56 ,83385 20

1.491 0,25508 29 0.43324 27 0.68832 56 0 ,83365 20

1.492 0,25479 29 0.43297 27 0.68776 56 0<,83345 20

1.493 0,25450 29 0.43270 27 0.68720 56 0.,83325 20

1.494 0,25421 29 0.43243 27 0,68664 55 0.,83305 20

1.495 0,25392 29 0.43216 26 0.68609 56 0,,83285 20

1 .496 0,25363 28 0.43190 27 0.68553 56 0.,83265 20

1.497 0,25335 29 0.43163 27 0,68497 55 0.,83245 20

1.498 0,25306 29 0.43136 27 0,68442 56 0.,83225 20

1.499 0,25277 29 0.43109 26 0.68386 55 0.,83205 20

1.500 0,25248 0,43083 0.68331 0.,83185

59
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z _(Fo_eo)/rt A (H0-E§)/RT A s°/r A cVr

P

t

1.500 0.25248 28 0.43083 27 0.68331 56 0.83185 20

1 • 3 U X n 9 5 p rt 9Q7

0 7 A r /\ c Q 9 7 c

(J . O 0 ^ 1 9 9 9 0 . o -7 io 9 20

1 R A "5 0*^9 X7 X 9 Q t 7

/. O rt o o 0« 430ZV O "7 0.68220 55 0.83145 20

1 • 7 u ^ nU 9 «^ 1 A 9 . ^ Z7 X D ^ 9 ft A A fi 1 A R U . OO X09 9o 0 • O 3 1 ^ 9 20

1 ,504 0.25134 29 71 ftU A ft 1 ft9 . O O X U 7 A ft ^ T A 5\ 9 1 ^ X 1.505 0,25105 28 0.42949 27 0.68054 55 0#83084 20

1 .5 06 0.25077 29 0.42922 26 0.67999 55 V,/ • ftW "^nft J U D 4•+ 9n

1 ,507 0 .25048 28 0.42896 27 0 . 67944 55 A . ft A4 4 9ft

1 .508 0. 25020 29 0.42869 27 0.67889 55 A _ ft "^i A? 4 ?ft 1.509 0,24991 28 0 .42842 26 n 6 78 55 A - ft A A 4 9ft 1.510 0.24963 28 0.42816 27 55 0.82984 20

1.511 0 -24935 2<3 9A IP J A ft 9Q A A U • O t 7 O *+ 9 a

c o n . 49 7 A 3 97 AU • f\lf\f^Q O f O O 7 I? -P A ft 9 Q4

U • O c 7 H- H- c. X

1 S 1 U • t •+ O f o ^> RO ft 4 9 7 ^ A 9 A A A7 A 1 A U • 0 / O X*f 9 9 A Q 9 Q 9 "a U • O 7 A 3

"5 A20

V # ^ H O -/ U ? ft ft . 4 9 7 1 ft 97 A A 7 Q 9R4

A Q 9 Q A "2 O A 20

1.515 0.24822 29 0.42683 27 0.67505 55 0»82883 20

1 • S 1 A X . X o ft . 49^^

c. O ft A74'i ft 9 9 A ft 9 R A "3 9 A 1.517 X • X f 0 .24765 2ft \J 9 ^ ^ V J \J 71 ft . A739'i A - ft 9R4 9ft

X . X o 2fi n . 49 Aft 3 7f\ ft • A7 341 A ft 9ft 9 9 1

c. X 1.519 0.24709 28 0.42577 26 ftU .67286 # V f CUV 54 A . ft 9Rn 7 ?ft 1.520 0.24681 28 0.42551 27 0.67232 55 0.82782 20

X . ? ^ X U . H O J 2fl A Zl 7 S 9 Zl U • 1 1? it *+ 9 A A f\l Ml C9 ZlH- A ft 9 7 A 9 9aO

n 9 AA 9 R 9 ft A A 9 A O Q c.97f A A 7 1 9 ^ 9 9 A fl 9 7 A 9 9 r\ aO

1 S 7 "J n 9 A. RO

U . ^ H 9 7 / 9 « A Zl 7Zi7 1 9 A A A 7 A A D 9*f A B 9 7 9 9 9 1 A i

X . 3 U . "T P O 7 27 A ^ Zi.5 ZlZl R 97 A A 7 A 1 Zl 9 H A ft 9 7 A 1 9 A A U 1.525 0.24542 28 0.42418 26 0.66960 54 0.8268

20

1.526 0 .24514 28 0.42 392 26 ft . 6 A9nfi 54 ft . ft 2 A A 1 9n

1.527 0 .24486 2fl f) . 42 3 AA 27 ft . A A 8 5 9 54 n . ft 9 A4

^9 1X 1 .528 0 .24458 27 0.42339 26 n.6A798 55 n . 8 2 A 2ft 2n

1.529 0 .24432fl n . 4? 3 1

27 54 Au »•ftO A9 Ao Au nu 9ft 1.530 0,24403 28 0.42286 26 0.66689 53 0.82580 20

1X . 7 X u # ^ *+ ^ / I> 9 7 n Zj.7 7 A A 9 A A A A A A U • O Q D O D 9

A ft 9 A A U t O 9 0 U9 1 A 1

1 t> 9 U » ^ H ^H- o9 ft A Zl 9 7 "I^Zl 9 A A A A R ft 9 9t- A R 9 O 9naO

1 1 ^ X . 3 -33 u • ^ H ^ ^ u 97 A Zt 9 9 A ft 9 7 A A A ^ 9ft ^9 ZlH- A ft 9 S 1 O U • O A 9 1 V 9 A a(J

X » 3 U • ^ *+ £ 7 ^ A . Zl? 1 ft 1 9 A A f\^L.lL. U • O O *T f H 9 *+ A ft 94Q Q U • O C *T 7 7 A9 1X 1.535 0.24265 27 0.42155 26 0.66420 54 0.82478 20

1 A nU » 2 4? 3 ft . ^ ^ ^ o 2ft ftU .. 49 199 X t 7 97 ft • AA 3 AR 3 ft. ft 94SR 9ft

X . ' 27 ft . 49 1 ft 2 ?A ft . A A 3 1 3 54 ft.ft243R 2C X]

X . ^ o n .241 83 2 7 ft.42ft7A 26 ft. AA2'59 53 ft. 82417 2ft

X . ^ ^ 7 n . 24 1 5

7ft ft . 4? ft 5 ft 7fi ft . A A 2 ftA 54 ft. 82397 ?ft 1.540 0.24128 27 0.42024 26 0.66152 53 0.82377 21

1X .54] . " X n .24127 ftV .. 41~ X 998 7 7 O 27 U • 'J D V 7 7 54 ft . 8 2 35 A 2n

X . 3**^ n ?4n74 97 ft . 4 1 9 7 1 U . ^ X 7 r X 9 A A A A AZlR "i 3 n . Q 9

-2 "a A U # O c -> o 7ft

X . ^ J 9fl ft . 4 1 94'i U . H X 7 •+ ;? 9 A A A S QQ 9 \J • O 9 7 7 t R 3 n ^ ft 9 1 A ^ # O A J* X O ^9 1X

1 - 'iii.il. U . X 7 27 ft .41 91

U . ^ X 7 X 7 9 A U • O 7 J 7 14 AVJ -• ftO A9 c9Q7 ^ 9ft

1 .545 0 .23992 27 0.41893 26 A . A 5885 53 0.82275 2 1

1.546 0.23965 27 0.41867 26 0.65832 53 0.82254 20

1.547 0.23938 27 0.41841 26 0.65779 53 0.82234 20

1.548 0.23911 27 0.41815 26 0.65726 53 0.82214 21

1.549 0.23884 27 0.41789 27 0.65673 53 0.82193 20

1.550 0.23857 0.41762 0.65620 0.82173

60
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

1

' Thermodynamic Functions for Values of X = hcv/kT

z -(F°-Eo)/RT

u A (H0-E°)/RT A So/R A C^R A

7 7 0 ,41762 A A A A 7 A 0 . O 70 A 0 0 O 0 ,82173 9 1 c 1

1.551 0.23830 27 0 ,41736 26 0.65567 53 0 .82152 20

1 5 7 ^1 0 ,41710 C.O CiU A A"; 1 A. . O 7 ^ X H 0 ,82132 A7 X1

1 c; ^^ -a n 9 "J 77 7 7 7 0 ,41684 CO A A AAA 1 0 . 0 7^0 X A Ct 7 7 0 ,82111 AO7 A

X « 3

ri 7 7'i7 7 0

A 1 A A O

, 'H07 0 C.O A A A A A fi U . O 7HUO A c» 7 7 0

Q 9 AO 1 , 0^07

7 A aO

1 <i <i R 7 7 0 ,41632 CO A A c a A c U . O 7 J 7 7 A c> 7 7 0 ,82071 A7 X1

1.556 0.23696 27 0 ,41606 2b 0.65302 52 0 ,82050 20

1 t> 7 U • ^ ^OO7 A 0 ,41580 CO n A t^ 7 R A \J ^OO CO\j 0 ,82030 A7 1X

1 . 7 7 o u • ^ ^ 0*T o P 7 0 ,41554 CO? A n ^ A C 1 Q7 0 ,82009 aU7 A

1 S Q C\ ? A 1 A U • ^ O J- O 77 0 ,41520 c? Ao ^ C 0

O 1 A O A A7 X1

1 ii. n

1 .700 A 9 'i Q O 7 A. 0 ,41502 cO A A c; AO 9 U« O ?U 7

0 ,81968 7 A aO

1.561 0.23563 27 0 •41476 25 0.65039 52 0 ,81948 21

1 .762 0.2 3736 0 ,41451 O £ 26 f\ £. /. O O *T 0

ohVo7 0 ,81927 20

1.563 0.23510 o ^ 27 0 ,41425 26 0.64934 c o 52 0 ,81907 2 1 1 .564 0 •23M-83 26 0 ,41399 26 0 . 64682 c o 52 0 ,81886 20

1 .565 0.23457 O ^ 27 0 ,41373 26 0.64830 53 0 ,81866 21

1.566 0.23430 26 0 ,41347 26 0.64777 52 0 ,81845 20

1 c; A "7 1 . 7o / A 9 CI AO A 9 A 0 ,41321 CO A A A 7 9 (^ 0 # o*f f A 9 7 A 0 ,81825 9 1 C I

1 A 0

X . 700 \J * O S 1 O A7 7( 0 ,41295 C O A f^L.f\1% \j • o«+o / J 7A 7A 0.,81804 9 1

n c: A o

1 . 7oV A 9 CI d *s 1 AO7 A 0 ,41269 CO A A A A 9 1 0

O^OC 1 A 9 7 A 0 , 8 178 3

9rt aO

1 R 7 A

1 . 7 /.O A *7 1 CI 9 9 A A O 0 ,41244 CO A A A A O A 9 7 a 0(,81763 9 1 C i

1.571 0.23299 26 0 ,41218 2b 0.64517 52 0 ,81742 20

1 7 O

1 • 7 J ^ A 9 CI O 7 "a A7 7r 0 ,41192 A A A A. A (\ A 9 7 A 0 ,81722 9 1 C 1

1 e; 7 1 • 7 f J U • ^: ^ ^H-o AO7 A 0 ,41166 C 0 A A A/i. 1 ^ A 7 7 A 0 ,81701 9 A cO

U « ^ ^

A7 AO 0 i AT 1 /, 1

1 H A i *f 1 9 A A A ^ A 1 7A A7 Oi Q 1 A A 11 o loo 1 C9 11

^ 7^ X . 7 / 7 A ? -a 1 OA A D 0 ,41115 CO5 A A A A AQ 7A A7 0(.81660 C9 11

1.576 0.23168 26 0.,41089 26 0.64257 52 0..81639 20

11.7/1 . 77 A7 AO 0..41063 A J A.U . AA?nA O ^ A U V

A 1 J X 0..81619 A7 X1

1

i!> 7R X . 7 r o n ? ci 1 1 /L u • ^ ^ X XO A7 AO 0 ,41038 A7 AO

A . A A 1 A A U . O *T 1 7 *T A7 A7 0..81598 au7n

1X . 7 70( 7A AO 0

/i 1 A 1 7 , Hi 0 X A AD7 A A A^. 1 ft 7 U . O H- 1 ^ A A A7 Oi 1 Q 7 Q A7 X1

1 C\ Q A 1 .700 A 7 C> A A A A7 ao 0,,40986 A9 A7 A A A A A A 7A 1X 0.,81557 7 1 A X

1.581 0.23038 26 0(.40961 26 0.63999 52 0..81536 20

X . o c U . c ^ U -1 ^ A7 AO 0.,40935 A?AO U . O J 7 *T * 0.,81516 ?A 1A

1 . S ft W . ^ ll 7 O O 0..40909 A76^ nU .. AD 7 RQO 7 AO A 0,,81495 A A 1.584 0 .22961 26 A

(J < A AO OA. "tU O O H 26 A . A -^844 5

A

0 < fl 1 47 4 20

1 .585 0 .22935 26 Oi.40858 26 0.63793 52 0..81454 21

1.586 0,22909 26 04,40832 25 0.63741 51 0,,81433 21

1 H 7 X . 7 0 ( U m ^ ^00 J 7 t> A 7 0.,40807 9 A C O

A A CI A O A A 1 7 X Oi.81412 9ft aO

1 Q o

1 . 7 OB f\ O 0 Q ^ O AO7 A 0..40781 CO A 1 7 1 Oi,81392 C 1

1 C O A 1.789 0 %£.Zo5c 7 £ a6 Oi,40756 26 0.6 3788 7 A Oi,81371 2

^ C A A 1.590 0 (22806 9 c 0<,40730 9 C 27 0.63736 7 1 Oi,81350 20

1.591 0.22781 26 0,,40705 26 0.63485 51 Oi,81330 21

1 C O 'I 1 .792 A O O "T C C 0 »^2777 7 C a5 0 ,40679 9 A 26 0 . 6 3434 7 1 Oi,81309 O 1 2

T o "a 1 . 7 V ^ A 7 9 7 Ct A AO7 A 0.,40653 a77 A A A Ct Ct O 9 U . O J JO 7A 1 7 X Oi,81288 9 1 A 1

1 . 7 A o 7 7A

A7 7 0(,40628 7 A A 7 A A CI CJ 9 7 0 . O 7 7 J A 7A 11 Oi,81267 9 A aO

1 Cs Qc; 1.777 A 7 7 A 7 O 7 A A O 0.,40603 aO7 A A A Ct 7 fl 1 U . O 7 AO X A 1 3 1 Oi.81247 9 1 A 1

1.596 0.22653 25 0..40577 25 0.63230 51 Oi.81226 21

1.597 0.22628 26 0,.40552 26 0.63179 51 Oi.81205 21

1.598 0.22602 25 0..40526 25 0.63128 50 Oi.81184 20

1.599 0.22577 25 Oi.40501 26 0.63078 51 Oi.81164 21

1.600 0.22552 0,,40475 0.63027 Oi.81143

61
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z -(F°-Eo)/rT A (H°-Eo)/RT

0

A s°/r A Co/R

P

A

1.600 0.22552 26 0.40475 25 0,63027 51 0.81143 21

1.601 0.22526 25 0.40450 26 0,62976 50 0.81122 21

1.602 0.22501 25 0.40424 25 0.62926 51 0.81101 20

1.603 0.22476 25 0.40399 25 0.62875 51 0.81081 21

1.60^ 0 .2245

25 0.40374 26 0.62824 50 0.81060 21

1.605 0.22426 26 0.40348 25 0.62774 51 0.81039 21

1.606 0,22400 25 0.40323 25 0.62723 50 0.81018 21

1.607 0.22375 25 0.40298 26 0.62673 50 0.80997 20

1.608 0.22350 25 0.40272 25 0.62623 51 0.80977 21

1.609 0.22325 25 0.40247 25 0,62572 50 0.80956 21

1.610 0.22300 25 0.40222 26 0,62522 50 0.80935 21

1.611 0.22275 25 0,40196 25 0.62472 50 0.80914 21

1.612 0.22250 25 0.40171 25 0.62422 51 0.80893 21

1.613 0.22225 24 0.40146 25 0.62371 50 0.80872 21

1.614 0.22201 25 0.40121 26 0.62321 50 0.80851 20

1 .615 0,22176 25 0,40095 25 0.62271 50 0.80831 21

1.616 0.22151 25 0.40070 25 0.62221 50 0.80810 21

1.617 0,22126 25 0.40045 25 0.62171 50 0.80789 21

1.618 0,22101 24 0.40020 25 0.62121 50 0.80768 21

1.619 0,22077 25 0.39995 25 0.62071 49 0.80747 21

1.620 0,22052 25 0.39970 26 0.62022 50 0.80726 21

1.621 0,22027 24 0.39944 25 0.61972 50 0.80705 21

1.622 0,22003 25 0.39919 25 0.61922 50 0.80684 21

1.623 0,21978 24 0.39894 25 0.61872 49 0.80663 20

1.624 0,21954 25 0.39869 25 0.61823 50 0.80643 21

1.625 0,21929 24 0.39844 25 0.61773 50 0.80622 21

1.626 0,21905 25 0.39819 25 0.61723 49 0.80601 21

1.627 0,21880 24 0.39794 25 0.61674 50 0.80580 21

1.628 0 ,21856 25 0.39769 25 0.61624 49 0.80559 21

1.629 0,21831 24 0.39744 25 0.61575 50 0.80538 21

1.630 0,21807 25 0.39719 25 0.61525 49 0.80517 21

1.631 0,21782 24 0.39694 25 0.61476 49 0.80496 21

1.632 0 ,21758 24 0.39669 25 0.61427 50 0.80475 21

1.633 0,21734 24 0.39644 25 0.61377 49 0.80454 2

1 .634 0,21710 25 0 .39619 25 0,61328 49 0.80433 2

1.635 0 , 2 1685 24 0.39594 25 0.6 1279 49 0.80412 2

1.636 0,21661 24 0.39569 25 0.61230 49 0.80391 21

1.637 0,21637 24 0.39544 25 0.61181 49 0.80370 21

1.638 0,21613 24 0.39519 25 0.61 132 49 0.80349 21

1.639 0,21589 24 0.39494 25 0.61083 49 0.80328 21

1.640 0,21565 24 0.39469 25 0.61034 49 0.80307 21

1.641 0.21541 24 0.39444 25 0.60985 49 0.80286 21

1.642 0,21517 24 0,39419 25 0.60936 49 0.80265 21

1.643 0.21493 24 0.39394 25 0,60887 49 0.80244 21

1.644 0,21469 24 0,39369 24 0,60838 49 0.80223 21

1.645 0,21445 24 0.39345 25 0.60789 48 0.80202 21

1.646 0,21421 24 0.39320 25 0,60741 49 0.80181 21

1.647 0,21397 24 0.39295 25 0.60692 49 0.80160 21

1.648 0,21373 24 0.39270 25 0.60643 48 0.80139 22

1.649 0,21349 24 0.39245 24 0.60595 49 0.80117 21

1.650 0,21325 0,39221 0.60546 0.80096

62
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

_/'Tro_Ti'o') — \r —eiqJ//rtni ('H°-E°') /rt s°/r A C^R

1.650 0,21325 23 0.39221 25 0,60546 48 0.80096 21

1.651 0.21302 24 0.39196 25 0.60498 49 0 .80075 21

1.652 0.21278 24 0.39171 25 0.60449 48 0 .80054 21

1.653 0.21254 23 0.39146 24 0.60401 49 n .80033 21

1.654 0.21231 24 0.39122 25 0.60352 48 .80012 21

1.655 0.21207 24 0.39097 25 0.60304 48 ^7999 2^ 21

1.656 0.21183 23 0.39072 25 0.60256 49 0 .79970 21

1.657 0.21160 24 0.39047 24 0.60207 48 n .79949 22

1.658 0.21136 23 0.39023 25 0.60159 48 0 .79927 21

1.659 0.21113 24 0.38998 25 0.60111 48 .79906 21

1.660 0.21089 23 0.38973 24 0.60063 48 0 .79885 21

1.661 0.21066 24 0.38949 25 0.60015 48 0 .79864 21

1.662 0.21042 23 0.38924 24 0.59967 48 0 .79843 21

1.663 0.21019 23 0.38900 25 0.59919 48 0 .79822 21

1 .664 0.20996 24 0.38875 25 0.59871 48 0 . 7980

22

1.665 0.20972 23 0.38850 24 0.59823 48 0 .79779 21

1 .666 0.20949 23 0.38826 25 0.59775 48 0 .79758 21

1.667 0,20926 24 0.38801 24 0.59727 48 0 ,79737 21

1.668 0.20902 23 0.38777 25 0.59679 48 0 .79716 21

1.669 0.20879 23 0.38752 24 0.59631 47 0 ,79695 22

1.670 0.20856 23 0.38728 25 0.59584 48 0 ,79673 21

1.671 0.20833 23 0.38703 24 0.59536 48 0 .79652 21

1.672 0.20810 24 0.38679 25 0.59488 47 0 .79631 21

1.673 0.20786 23 0.38654 24 0.59441 48 0 ,79610 21

1.674 0.20763 23 0.38630 25 0.59393 47 0 ,79589 22

1.675 0.20740 23 0.38605 24 0.59346 48 0 ,79567 21

1.676 0.20717 23 0.38581 25 0.59298 47 0 ,79546 21

1.677 0.20694 23 0.38556 24 0.59251 48 0 ,79525 21

1.678 0.20671 23 0.38532 25 0.59203 47 0 ,79504 22

1.679 0.20648 23 0,38507 24 0.59156 47 0 ,79482 21

1.680 0.20625 22 0.38483 24 0.59109 48 0 .79461 21

1.681 0.20603 23 0.38459 25 0.59061 47 0 ,79440 22

1.682 0.20580 23 0.38434 24 0.59014 47 n ,79418 21

1 .683 0.20557 23 0.38410 24 0.58967 47 ,79397 21

1.684 0.20534 23 0.38386 25 0.58920 47 n ,79376 21

1.685 0.20511 22 0.38361 24 0.58873 48 0 ,7935 5 22

1.686 0,20489 23 0.38337 24 0.58825 47 0 ,79333 21

1.687 0.20466 23 0.38313 25 0.58778 47 nu 21

1.688 0,20443 23 0.38288 24 0.58731 47 u .70901 22

1.689 0,20420 22 0.38264 24 0.58684 46 u } 1 7 U 7 21

1.690 0,20398 23 0.38240 24 0. 58638 47 u IQO UP. 21

1.691 0,20375 22 0.38216 25 0.58691 47 0 ,79227 22

1.692 0.20353 23 0.38191 24 0.58544 47 0 ,79205 21

1.693 0,20330 23 0.38167 24 0.58497 47 0 ,79184 21

1.694 0.20307 22 0.38143 24 0.58450 46 0 ,79163 22

1.695 0.20285 22 0.38119 25 0. 58404 47 0 ,79141 21

1.696 0,20263 23 0.38094 24 0.58357 47 0 ,79120 21

1.697 0,20240 22 0.38070 24 0.58310 46 0 ,79099 22

1.698 0.20218 23 0.38046 24 0.58264 47 0 ,79077 21

1.699 0.20195 22 0.38022 24 0.58217 46 0 ,79056 22

1.700 0.20173 0,37998 0.58171 0 ,79034

63
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z _(FO_Eo)/rT A (HO-Eo)/RT A So/R A Co/R A

1.700 0.20173 22 0.37998 24 0.58171 47 0.79034 21

1 701 nU 9 n 1 1 . c U X ? X 9 A a 7Q 7 A U • ^ 1 7 f H ^H- AU.JOR 0 1 0 A X A*f A A A 7 Q A 1 ^ A X

11 • 7r 0^U ^ n 9 m 9 ft 9 9 A 7 O *i A A J A R O A "7 O U . J o 0 (o 47 A A V . <. V7 X u o 9 9 A*T A R fl A ^ 1 U . 0 U J i A A A 7 Q Q 7 A U . r O 7 / 0 A X

^ - 704 . t. v V_/ U *T U • ^ f 7 U X A *+ AU.J*S 7Qft CI

f 7 O J 4A A 7 A Q A O U . f 0 7 H V

0 1 A X 1.705 0,20061 22 0.37877 24 0.57939 47 0.78928 22

1 7 0^^ U . ^ Vj U 7 9 9 A a 7 A o 94 A f^ 7fl O O U • J f O 7 A A A *f O 0. /o906 21

1.707 n . 900 17 9 A . Q 7

Q

74. A S 7 A A A U . J r 0 HO AA A 7 Q (1 A u . f 0 0 o p9 O A A

1 * 70ft w . X 7 T 7 9 9 A 7 A A R 94 AU.JR 7 A A A f o UO A A *f O

A 7 Q Q A "a 0. ' oOO 5 A i

1 * 70Q n 1 QQ7'^ 9 9 0 - 77ft 1 94 A R 77 R A U . J r f J 4

A A . 4o A 7 Q Q /i 9 0 . 1 OOH ^O 9 2 A 1.710 0.19951 22 0.37757 24 0.57708 46 0.78820 21

1.711 0 . 19929 27 n.'%77'^'^ 74 n . S 7ft A 9 4A**o ft- 7ft7<5Q U . f O f 7 7 A77A 1.712 0 . 19907 nV .. 577nQ f ' U 7 74 nU .• 7r AO X1 AO 4A•to ft. 7fl777 A7 1X 1.715 i • ' X J 0W -9 A1 Qftfl 7 CJ U S^ 2? 0W .. 57ftA f \J O SJ 74 ft . 7S 7 ft 4A ft » 7fl7 A A U . r O f P O A7 1X

i . 1 X *T U • A 7 O W ^ n . 7AA 1 74 ft . S 7S 74 HO ft 7H 7 A 0 0 A A 1.715 0,19841 22 0.37637 24 0.57478 46 0.78713 21

1 . 7 1 f> X . ' X u OU .1X Q7 RO 1X Q7 ? 9 A _ -57^ 1 -a 74 A

U . ^74^7 f H J A 4AHO A 7 A AO 7 U . / OO 7 A 7A A7 1.717 OU ,

1X Q7<37 7 (7 1 99 U • ^ / 3 0 7 94 A c; 7 -a A A U • f JO 0 AAHO A 7 fl A 7 A U» r OO f U

9 1 AX

1 7 1 fl 1 . • X o n 1 077'^ U , X 7 1 f 7 9 n - "^7 A s 94 A e\7'a4A U • ' J HU 4AHO AU . 7AA4Q 1 OOH 79 9 A A

1 710 n 1 <5 7'5 U . X 7 1 ^ 77 U.J / X 94 A C; 7 OQA U . f A 7*t 4^; H J A 7 A A 7 7 U . f OO A r A9 1X 1.720 0.19731 22 0.37517 23 0.57249 46 0.78606 22

1 7 ? 1 1 . ' ^ X O 1 Q70Q 7& X1 U.J f H 7 H 74. ft S 7 9 ft 4AHO A 7fl A ft A U . f O P O H A X

1 7 9 9 1 . / ^ ^ 0U • X1 Q7 AOOA AO 7 7 A - 7 Zi 7 A 74 ft 7 1 R 7 ACi H J A 7fl A A U . < O P O J> 9 O A A

1 7 9 Cl U • X VoOO 9 9 A 1 7 Zt A A 0 A ^ 7 1 1 9 A A HO A 7 £J A A 1 0 . J 0 Ph 1 A X U • X 7 C>*+*T ^9 1X AU.J 7/l 9 9 f ^ C.C. 9Zi. ft 7 ft A A U . 3 ( UOO A c; H 7 A 7 Q A 9 A U . 1 O P A U

7 7 A A 1.725 0.19623 22 0.37398 24 0.57021 46 0.78498 21

1 7 7 A OU • 1 0 AO 1 i. 7 O V X 2 9 0 * ^7 '^7iL U . J * J f ^7 'aJ U . ^ O 7 f J 4'i ftU . 7ft477 ' OH /

A7 A7 X» 1 d 1 A 1 Q 6\ 7 Q u • X 7 f y ^9 1X U . r X A*f A C^ A Q 'a A U . -'O 7 jU A40A A 7 Q A A A 0 . ( OHP P

7 1 A X

1 7 9 fi 0U 1 OR ft • X 7 17 V O 9 9 AU . J

-a 7r -aJ Ao 7/ Af74 A R A A A A U . J o o O *+ 4^ ft 7«4'^ 4 U . f OH J H 7 7 A A

1 7 90 7 9 A - a 7 a A ^ U . -3 ' J U J 74 A R A A 'ao U . O O J 7

4^1 HI? ft 7 ft4 1 9 U . f oH X ^

9 7 A A 1.730 0,19514 21 0.37279 24 0.56794 46 0.78390 21

1X . 7' -JmX nU ,1X Q4.0 7 H 7 J 9 9 AU.J. "a 7' A.7 R A7 J"a AU.JOR A 7f AH AO

4ti H3 A 7 A "a A Q U . f O JO 7

7 7 A A

1 7 9 nU 1 Q4.7 1 , X 7 ^ f X 7 1 £• X A . o 7 p -a o U.J ( ^ J A A74H AU.JOR A 7 A "a

' U J 4RHi? A 7fl^47 U . 1 O JH f A7 1X X . ' ^ V , X 7 *T ^ 22 U.J * 74A ^ nU -. J5 AO AU J^fto 45HJ n - 7ft "^Pa U . ( U J A O A77A U , X 7 'T^ O 4- X AU.J"a 7' X1 A/l o *T A7 J A AA 1 "a u . OO X J

4Pi H J A 7 A "a A A U . 1 O JU H A7 X1 1.735 0.19407 21 0.37161 24 0.56568 45 0.78283 22

1 7 A A 1 Q fl A U • X 7 ^ o o 7 7 A "a 7 1 a 7 U . J f X J f At74 A A R 0 'a U . J D J A J AAHO A 7 A 7 A 1 U . r o AO X 9 7 A A

1 7 7 A 1 O ^ A Zl U • X 7 ^OM- 9 1 A "a 7 1 1 "a U . J r X X J0 "a A JA ^ A A77 HJ A 7 fl 0 "a Q U # ( o A 5 y9 1 A X

1 7 '3 O A 1 O 11 A "CI 9 1 A 'a 7 A O A U. ^ f U 7 U a4 A R A A CI O U . JO 'J A

AC; Hp A 7 fl 0 1 C U . r o A X o

9 9 A^

1 7 ^ Q A 1 o "a 9 '? U • i 7 ^ C

9 9 A a 7 A A A U.J' Uoo 5 AA'f A A "a fl 7 U . 7 o jO f AHHA A 7 Q 1 Q A 0 . / o xy o

9 1 A 1 1.740 0.19300 21 0.37042 23 0.56343 45 0.78175 22

1.741 n 1 Q O "7 A 9 1

C. X 0 • :> / 0 ly 0 . JO aV O

A c; h3 0 . / O X J ^ A A

1 7 A 9 A 1 Q 9 Q 9 1X A ^ A Q O C^ U . J o VV

AOAt A c; £ O C -3 0 . J OAJ J AHPA A 7 fl 1 "a 1 U . / o X ^ X 7 1 A X

1 7A ^ A 1 O "5 "7 9 9 A ^ A Q *7 1 U . f X A J A C\ A O A Q 0 . JO aUo /iHPA A 7 fl 1 1 A 0 . f o X X U7 7 A A

1 7 AA A 1 O 1 R U • X 7 ^ X D

9 1 A ^ A O Zl fl U . J O 7 'f O AOA A R A 1 A U . J O X O J 4HPA A 7 fl A ft fl U . / O U O o ^7 1X

1 74. U • X 7 X 7 ^ £-7 1X 0U *."aJ AQO 7 t H- A7 "aJ A - R A 1 1 A U . O X X o 44 AU -. 71 fto 0u Ao 7/ A7 A7

1.746 0.19173 21 0.36901 24 0.56074 45 0.78045 22

1.747 0.19152 21 0.36877 24 0.56029 45 0.78023 21

1.748 0,19131 21 0.36853 23 0.55984 44 0.78002 22

1.749 0.19110 21 0.36830 24 0.55940 45 0.77980 22

1.750 0.19089 0.36806 0.55895 0.77958

64
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z _(Fo_Eo)/rT A (h°-e°)/rt C^R

1 . 750 0 .19089 2 1 0 .36806 23 0,55895 44 0.7795 8 ^2 X1

1.751 0.19068 21 0 .36783 24 0.55851 45 0.77937 22

1 - 9 i. t 1 J £. 0 « 1 0 A4 7 2C 1X 0 .36759 23 U • V VJ o 44 0.7701

U . ' 1 7 X 2 2

1 7«i V . X 7 V ^ O 2£. 1X 0 .36736 24 n * S I fx 7 4S ft. 7780 ^7 X1

L • 1 o 1 onot; ^2 1X V

2 7 1 O

» DO 1 l£. n * S 7 1 7 ft. TIRl "> 7 7 1.755 2<- X1 0 .36689 23 44 ft . 778 S ft 2 2

1.756 0.189673 21 0 .36666 24 0.55629 45 21

1.757 0 .18942 2

0 .36642 23 0.55584 44 22

1.758 0 .1892

2 1 0 .36619 24 0.55540 44 0. 77785 22

1 .759 0.18900 20 nu

•a A c; Q R . J D 7 23 0.55496 44 0.77763 21

1 . 760 0.18880 21 0 .36572 23 0, 55452 45 0.77742 22

1.761 0.18859 21 0 .36549 24 0.55407 44 0.77720 22

1 . 7A 7 V./ . X o o o 2*L 1X 0 .36525 23 0.\j % J5^3^.3 J -J ^ ^ 44 O. 77^98 2 2

1 . Tft'^ X 9 1 V J 0\J .. X1 Rfl O O 1X 7f 2 0 0 ,36502 0 . 5 «> 3 1 0 44 ft . nf^if^ ^2 1X

X • < O H 0 1 ft 70 7 ^2 1X 0 , j64 ^

U . " ^ » -3 ft 7 7 A R

1 • 7 A 5 0.1 H77ft 2 1 0 ,36455 c ^ 0 . 5 S 2 3 1 \J 9 J J £~ D X 44 ft . 77A 3 7 7

1.766 0.18755 20 0 ,36432 2^ 0.55187 44 0.77611 21

1 .767 0.18735 2 1 0 ,36408 2 3 0.55143 44 ft. 7759n 22

1 .768 0.18714 20 0 ,36385 23 n. 5 5 099 43 ft. 775fvft 2c c2

1 .769 0. 18694 2

nu 23 0.55056 44 0. 7754ft 22

1.770 0 .18673 20 0 ,36339 24 0.55012 44 0.77524 2£. 1X

1.771 0.18653 21 0 ,36315 23 0.54968 44 0.77503 22

1.772 0 . 18632 20 0 ,36292 23 0. 54924 44 0. 7748 1 22

1.773 0-18612 2

0 ,36269 23 0 . 5 488n 43 0. 77459 22

1 .774 0,18591 20 nu , J O t *tO 24 0.54837 44 0, 77437 22

X • ' ' -* 0.18571 2 1 0 ,36222 23 ft. 54793 43 0.774 1

^ X

1.776 0.18550 20 0 ,36199 23 0.54750 44 0.77394 22

1.777 X • ' ' ' 0.18530 20 0 ,36176 23 0.54706 44 0.77372 22

1.778 0.18510 2 1 0 ,36153 23 0. 54662 43 0,77350 22

1 ,779 0 .18489 20 ft . 3ft 130 23 0.54619 43 0.77328 22

1.780 0 . 18469 20 0 .36107 24 0,54576 44 0.77306 2 1

1.781 0.18449 21 0 ,36083 23 0.54532 43 0.77285 22

1.782 0 .18428 20 0 .36060 2 3 0 . 54489 44 0.7726 3 22

1 . 783 0.1 8408 20 0 ,36037 23 0,5 4445 43 0.77241 22

1 .784 0 • 18388 20 nu . An 1 4 23 0. 54402 43 0.77219 22

1.785 0.18368 20 0 ,35991 23 0,54359 43 0.77197 22

1.786 0.18348 20 0 ,35968 23 0.54316 44 0.77175 21

1 . 7R7 n 1 ft ? ft 2 ft 0 ,35945 ^ -7 n ^ Zl 9 7 9 *+ ^ n 7 7 1 S Zl

c. C

X . f O 0

n 1 ft n ft ^2 1X 0 ,35922 c. D r\ 7 7 1 9

1 7PQ n 1 ft p ft 7 2 ft 0

Q R Q O O

, J 5 O y 7 ^ D n ^ Zi. T ft A *+ D A 7 7 1 1 n c. c.

1 7Q r» X . » 7 U

n 1 ft 9 A 7 ? ft 0 ,35876 U • H i *+ ^

ri 7 7 A ft R 9 9

1.791 0,18247 20 0 .35853 23 0.54100 43 0.77066 22

1 - 70? 0 1 ft ? ? 7 2n 0 ,35830 23 n * S Zl n s 7 43 ft . 7 7ft 44 9 1

X • ' ~ J 0u .

1X fio ^707u / 2 0 0 ,35807 7 3 A S ZlO 1 Zi ft 7 7 ft 7 T 9 9

1 - 794 0.18187 2n 0 ,35784 23 \J % ^ 1 Xft . 7 7 ft ft 1 9 9

1 7Q*i X . 1 "J nU , X1 RO 1X AQ 7I X1 0y 0 ,35761 ^ -5 n R o 5 ft ftU.I7 A O 7 O O 7 ' V

9 9

1.796 0,18148 20 0 ,35738 23 0,53885 43 0.76957 22

1.797 0,18128 20 0 ,35715 23 0.53842 42 0.76935 22

1.798 0,18108 20 0 ,35692 23 0.53800 43 0.76913 22

1.799 ^,18088 20 0 ,35669 23 0,53757 43 0.7689 1 22

1.800 0,18068 0 .35646 0.53714 0.76869

65
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z -(F°-Eo)/RT

u A (h°-e°)/rt

u A s°/r A

p

A

1.800 0.18068 20 0.35646 23 0.53714 42 0.76869 22

1.801 0.18048 19 0.35623 23 0.53672 43 0.76647 22

1.802 0.18029 20 0.35600 23 0.53629 43 0.76825 21

1.803 0. 18009 20 0.35577 22 0.53586 42 0.76804 22

1.804 0.17989 20 0.35555 23 0.53544 43 0.76782 22

1.805 0.17969 19 0.35532 23 0.53501 42 0.76760 22

1.806 0.17950 20 0.35509 23 0.53459 43 0.76738 22

1.807 0.17930 20 0.35486 23 0.53416 42 0.76716 22

1 ,808 0.17910 19 0.35463 23 0.53374 43 0.76694 22

1 .809 0 ,1789 1 20 0.35440 22 0.53331 42 0.76672 22

1.810 0,17871 19 0.35418 23 0.53289 42 0.76650 22

1.811 0,17852 20 0.35395 23 0.53247 43 0.76628 22

1.812 0,17832 19 0.35372 23 0.53204 42 0.76606 22

1.813 0.17813 20 0.35349 22 0.53162 42 0.76584 22

1.814 0.17793 19 0.35327 23 0.53120 42 0.76562 22

1.815 0.17774 20 0.35304 23 0.53078 43 0.76540 22

1.816 0.17754 19 0.35281 23 0.53035 42 0.76518 22

1.817 0.17735 19 0.35258 22 0.52993 42 0.76496 22

1.818 0.17716 20 0.35236 23 0.52951 42 0.76474 22

1.819 0.17696 19 0.35213 23 0.52909 42 0.76452 22

1.820 0.17677 20 0.35190 22 0.52867 42 0.76430 22

1.821 0,17657 19 0.35168 23 0.52825 42 0.76408 22

1.822 0,17638 19 0.35145 22 0.52783 42 0.76386 22

1.823 0.17619 19 0.35123 23 0.52741 41 0.76364 22

1.824 0.17600 20 0.35100 23 0.52700 42 0,76342 22

1.825 0.17580 19 0.35077 22 0.52658 42 0,76320 22

1.826 0.17561 19 0.35055 23 0.52616 42 0,76298 22

1.827 0.17542 19 0.35032 22 0. 52574 42 0.76276 22

1 .828 0.17523 19 0.35010 23 0.52532 41 0.76254 22

1.829 0.17504 19 0.34987 23 0.52491 42 0.76232 22

1.830 0.17485 20 0.34964 22 0.52449 42 0.76210 22

1.831 0.17465 19 0.34942 23 0.52407 41 0,76188 22

1.832 0.17446 19 0.34919 22 0.52366 42 0,76166 22

1.833 0.17427 19 0.34897 23 0.52324 41 0,76144 22

1.834 0.17408 19 0,34874 22 0.52283 42 0,76122 22

1.835 0.17389 19 0,34852 23 0.52241 41 0,76100 22

1.836 0.17370 19 0.34829 22 0.52200 42 0.76078 22

1.837 0.17351 19 0,34807 22 0.52158 41 0.76056 22

1.838 0.17332 18 0.34785 23 0.52117 41 0,76034 22

1.839 0.17314 19 0,34762 22 0.52076 42 0,76012 23

1.840 0.17295 19 0,34740 23 0.52034 41 0,75989 22

1.841 0.17276 19 0.34717 22 0.51993 41 0,75967 22

1.842 0.17257 19 0.34695 23 0.51952 41 0,75945 22

1.843 0.17238 19 0.34672 22 0.51911 42 0,75923 22

1.844 0.17219 18 0.34650 22 0.51869 41 0.75901 22

1.845 0.17201 19 0.34628 23 0.51828 41 0.75879 22

1.846 0.17182 19 0.34605 22 0.51787 41 0.75857 22

1.847 0.17163 19 0.34583 22 0.51746 41 0.75835 22

1.848 0.17144 18 0.34561 23 0.51705 41 0.75813 23

1.849 0.17126 19 0,34538 22 0.51664 41 0,75790 22

1.850 0.17107 0.34516 0.51623 0,75768

66
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

X -(f°-e°)/rt A (h°-e°)/rt A S°/R A c°/r

P

A

1.850 0.17107 19 0.34516 22 0.51623 41 0,75768 22

1.851 0.17088 18 0.34494 22 0.51582 41 0.75746 22

1.852 0. 17070 19 0.34472 23 0.51541 41 0.75724 22

1.853 0.17051 18 0.34449 22 0.5 1500 40 0.75702 22

1.854 0.17033 19 0.34427 22 0.51460 41 0.75680 22

1.855 0. 17014 19 0.34405 22 0.51419 41 0.75658 22

1.856 0.16995 18 0.34383 23 0.51378 41 0.75636 23

1.857 0.16977 19 0,34360 22 0,51337 41 0.75613 22

1.858 0.16958 18 0,34338 22 0,51296 40 0.75591 22

1.859 0.16940 19 0,34316 22 0,51256 41 0.75569 22

1.860 0.16921 18 0,34294 22 0.51215 40 0.75547 22

1.861 0. 16903 18 0.34272 23 0.51175 41 0.75525 22

1.862 0.16885 19 0.34249 22 0.51134 40 0.75503 23

1.863 0.16866 18 0.34227 22 0.51094 41 0.75480 22

1.864 0.16848 18 0.34205 22 0.51053 40 0.75458 22

1.865 0.16830 19 0.34183 22 0.51013 41 0.75436 22

1 .866 0.16811 18 0.34161 22 0.50972 40 0.75414 22

1.867 0.16793 18 0.34139 22 0.50932 41 0.75392 23

1.868 0.16775 19 0.34117 22 0.50891 40 0.75369 22

1.869 0.16756 18 0.34095 22 0,50851 40 0,75347 22

1.870 0.16738 18 0.34073 23 0,50811 41 0,75325 22

1.871 0. 16720 18 0.34050 22 0.50770 40 0.75303 22

1.872 0.16702 18 0.34028 22 0.50730 40 0.75281 23

1.873 0.16684 18 0.34006 22 0.50690 40 0.75258 22

1.874 0.16666 19 0.33984 22 0.50650 40 0.75236 22

1.875 0.16647 18 0,33962 22 0.50610 40 0.75214 22

1.876 0.16629 18 0,33940 22 0.50570 40 0.75192 23

1.877 0.16611 18 0,33918 22 0.50530 40 0.75169 22

1.878 0.16593 18 0,33896 22 0.50490 40 0.75147 22

1.879 0.16575 18 0,33874 22 0.50450 40 0.75125 22

1.880 0.16557 18 0,33852 21 0.50410 40 0,75103 23

1.881 0.16539 18 0,33831 22 0.50370 40 0.75080 22

1.882 0.16521 18 0,33809 22 0.50330 40 0.75058 22

1.883 0,16503 18 0,33787 22 0. 50290 40 0.75036 22

1.884 0.16485 18 0,33765 22 0.50250 40 0.75014 23

1.885 0.16467 18 0.33743 22 0.50210 40 0.74991 22

1.886 0.16449 17 0.33721 22 0.50170 39 0.74969 22

1.887 0.16432 18 0. 33699 22 0.50131 40 0.74947 23

1.888 0.16414 18 0.33677 22 0.50091 40 0.74924 22

1 .889 0. 16396 18 0.33655 21 0.50051 39 0.74902 22

1.890 0.16378 18 0.33634 22 0.50012 40 0.74880 22

1.891 0.16360 17 0.33612 22 0.49972 39 0.74858 23

1.892 0.16343 18 0.33590 22 0.49933 40 0.74835 22

1.893 0.16325 18 0.33568 22 0,49893 39 0.74813 22

1.894 0. 16307 18 0.33546 21 0.49854 40 0.74791 23

1.895 0.16289 17 0.33525 22 0.49814 39 0.74768 22

1.896 0.16272 18 0.33503 22 0.49775 40 0.74746 22

1.897 0,16254 18 0.33481 22 0.49735 39 0.74724 23

1.898 0.16236 17 0.33459 21 0.4969t. 40 0.74701 22

1.899 0.16219 18 0.33438 22 0,4965t 39 0.74679 22

1.900 0.16201 0,33416 0,49617 0.74657

67
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

—— ( R"o_'f('o"i /rt ^,^ ni AU VH'-'-iljgj/Hi C^R A

1.900 0.16201 17 0,33416 22 0.49617 39 0.74657 23

1,901 0.16184 18 0.33394 2

0.49578 39 0.74634 22

1.902 0.16166 18 0. 33373 22 0 , 495 39 40 0.74612 22

1.903 0.16148 17 0.33351 22 0,49499 39 0. 74590 23

1.904 0.16131 18 0.33329 21 0.49460 39 0.74567 22

1.905 0.16113 17 0.33308 22 0.49421 39 0.74545 22

1.906 0.16096 17 0.33286 22 0.49382 39 0.74523 23

1.907 0, 16079 18 0.33264 21 0.49343 39 0.74500 22

1.908 0. 16061 17 0.33243 22 0.49304 39 0.74478 22

1 .909 0.16044 18 0.33221 21 0.49265 39 0. 74456 23

1.910 0.16026 17 0.33200 22 0.49226 39 0.74433 22

1.911 0, 16009 17 0.33178 22 0.49187 39 0.74411 22

1.912 0.15992 18 0.33156 21 0.49148 39 0.74389 23

1.913 0,15974 17 0.33135 22 0.49109 39 0. 74366 22

1.914 0.15957 17 0.33113 21 0.49070 39 0.74344 23

1.915 0.15940 18 0.33092 22 0.49031 38 0.74321 22

1.916 0.15922 17 0 . 33070 2 1 0.48993 39 0.74299 22

1.917 0. 15905 17 0 .33049 22 0.48954 39 0. 74277 23

1.918 0.15888 17 0.33027 21 0.48915 39 0. 74254 22

1.919 0.15871 17 0. 33006 22 0.48876 38 0.74232 23

1.920 0.15854 18 0.32984 21 0.48838 39 0.74209 22

1.921 0.15836 17 0.32963 22 0.48799 38 0.74187 22

1.922 0.15819 17 0.32941 21 0.48761 39 0.74165 23

1.923 0.15802 17 0.32920 22 0.48722 39 0.74142 22

1.924 0.15785 17 0.32898 21 0.48683 38 0.74120 23

1.925 0.15768 17 0.32877 21 0.48645 39 0.74097 22

1 .926 0.15751 17 0.32856 22 0.48606 38 0.74075 23

1 .927 0.15734 17 0.32834 21 0.48568 38 0.74052 22

1.928 0.15717 17 0.32813 22 0.48530 39 0. 74030 22

1 .929 0. 15700 17 0.32791 21 0.48491 38 0.74008 23

1.930 0.15683 17 0.32770 21 0.48453 38 0.73985 22

1.931 0.15666 17 0.32749 22 0.48415 39 0.73963 23

1.932 0.15649 17 0.32727 21 0.48376 38 0.73940 22

1.933 0.15632 17 0.32706 21 0.48338 38 0.73918 23

1.934 0.15615 17 0. 32685 22 0.48 300 38 0.73895 22

1.935 0.15598 17 0.32663 21 0.48262 39 0.73873 23

1 .936 0.15581 17 0 .32642 21 0.48223 38 0.73850 22

1 .937 0,15564 16 0.32621 21 0,48185 38 0.73828 22

1.938 0 .15548 17 0.32600 22 0.48147 38 0.73806 23

1.939 0,15531 17 0.32578 21 0.48 109 38 0.73783 22

1.940 0,15514 17 0.32557 21 0.48071 38 0.73761 23

1 .941 0,15497 17 0.32536 21 0.48033 38 0.73738 22

1 .942 0,15480 16 0.32515 22 0.47995 38 0.73716 23

1.943 0,15464 17 0.32493 21 0.47957 38 0.73693 22

1.944 0,15447 17 0.32472 21 0.47919 38 0.73671 23

1.945 0,15430 16 0.32451 21 0.47881 37 0.73648 22

1.946 0,15414 17 0.32430 21 0.47844 38 0.73626 23

1.947 0,15397 17 0.32409 21 0.47806 38 0.73603 22

1.948 0,15380 16 0.32388 22 0.47768 38 0.73581 23

1.949 0,15364 17 0.32366 21 0.47730 38 0.73558 22

1.950 0,15347 0.32345 0.47692 0.73536

68
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z _(Fo_eo)/rT

U

A (H°-Eo)/RT

u A s°/r A cVr

p

A

U • 1 ^ J** f 1X 7/

ft ^ a 9 a /.(; ^0 1X A Zl7AQ9 ^ t A 7^ ^ A A D

1.951 0.15330 16 0.32324 21 0.47655 38 0.73513 22

1 QI^O

1 • 73^ X

1 7/ A 9 "a A H A X A Z1.7 A 1 7 iO A 7 ^ A.O 1 U , ( jty X A .3

1 • V5 J U • X D ^ 7 / 1 A X O

A '5 O O Q O ^ X A 7 Q 0 • r 5 '7 'k 7 A 7 11 AA fi 0 • ' JfO C5 0 7 A A

1 o C\ /i U • X ^ ^ O X

1 -J X / A 1 '5 9 A 1 c X A A.7 *^ A_ 9 SoaR A 7CIAAA cs

1 O ^ U • X 7 ^OH' X1 AO £, X A A. 7 ^ A/t 37

y , / 5Ha s

5 5 A A

1.956 0,15248 17 0.32219 21 0.47467 38 0,73401 23

1 O *i 7 U , i 3 ^ ^ X X

1 AO

A "it 9 1 Ofi u , J c X y o 5

A X A A7

U , H / t Ay J / A 7 7fl U , 1 SS 1 0 A 3

1 . 7 ->0 U , 1 3 ^ X 3 X1 AO

A

U ,

•3^ ^5 177 X r r A X U , *T r jy

^0 n 7 •a q c c U , / J jP P 9 9 A A u , X I? X y y

1 7 X / A . a O 1 K A U , 3^ X 3 O A X A ^7';i*iA 1* 7 J / A 7 a 0 » a U , 1 SS S s

9 14 A S

1 O A A 1 • you U , X 3 X 0 ^ 1X AeA *3 9 1 R U , ^ A X J 3 A X n ^ 1 7 U , ** / -3 X r •^R n 7 1 A U. / -^-^ xu 9 9 A A

1.961 0.15166 17 0*32114 21 0,47279 37 0.73288 23

vj , 19 XHy X O

A ^ 9 A Q "S ^ 1 A A 7 0 A 0 0 , H / Af•a 7 3 ( A 7 <i 9 A 6 0 • f 3 ADD 9 9 A A

1 ft o 1.963 U . 1 7 1 3 31 r 16 A O O A 7 O

^: 1 A A 7 T A A 3o ft ^ 0 9 /• Q 0 • f 3 aH3 a3

1 .964 rv 1 c 1 1 7 0.15117 i 7

A Q O A C T 0, 320t> 1 A 1 A A 7 1 A 7 0,47167 •3 7 37 ft "7 0 9 9 ft 0, 73^^0 id. 1 ,965 0.1 5100 16 0,32030 21 0,47130 37 0,73198 23

1.966 0,15084 16 0,32009 21 0,47093 37 0,73175 22

1 .967 ft 1 XL ft£. O

1

ft O 1 ft o o Z Xft /i ^ ft C t 0 • H70->o 37 A 7 a 1 R "a 0. /3153 9 ^ A 3

1 O il. o ft 1 C ft c o

X /

ft "a 1 Q "7 0 • ^ X 70 { c, X A /i.^ A 1 0 0« f 0 X 7 ^0 A0. 7/ J

•* 1 1* A 1 SO 9 "a A ^

1 O A o J. • voy U • X ^ U.? P X

1 AO

A ^ 1 O A A U • ^ X 7H0 £. X A ZlA Q ft 1 U • HO 7 0 X"^l 7 A 7 1 A 7 U . f 5 XU / A9 ^9

1 . y I u W • X ? U X 7 X1 f,o W • X 7 ^ ^ £? X1 A . 4A QAZl '^7 n . 7 ^ Aft S A J

1.971 0,15003 16 0,31904 21 0,46907 37 0.73062 22

1 O 7 5 i. . y ' ^ nU , X

1 H/. QQ70 7/ X1 AO U , X 0 0 J 9 A A UA . AAR7

U , ^0 0 f y

•?7 A - 7 A A. A A9 S

11 • Q7y 1 J

(-1 1 A Q7 1 U . X *T 7 f X X1 7/ A ^ -J 1 D A u , X 0 0 J A X U • HOO J J 7 A » 7 A 1 7 9 14 A 3

1 O 7 A 1 . y ' Hn 1 O R A u . X H y p t X

1 AO

A 1 1 R A 9

(J , J 1 0 f A A X A A A 7 OA u , 'to / y

^ 7 A 7 90Q

u. ' Ayyt 9 9 A A

1 Q 7 R 1.9/5 A 1 A Q ^ O u . I'fy JO 1

0 , 3 1 0 A 1 A 1 A A A 7 R 0 0 , HO /57 •a 7 3 / A 7 0 0 7 7 0 . / Ay / A

9 H

1.976 0.14922 16 0,31800 21 0,46722 37 0,72949 11

1 O 7 7 ft T A O ft i. U • X H VU O X

1 Ab

A 1 77 0 A X A A A Aft ^^0A A 7 7Q 5 7 U , I Ay A

9 H A 3

1 O 7 0

1 . y < 0 nU 1 ft 0 n » i. H O 7 U X

1 Ao

ft ^ 0 1 7 c; 0 A? AU

7 A 7PQAA. U , f A y U H A9 S

11 .« q7q y ' y n - 1 4 ft 74 A X ^ • ~0 U X A ?7 A. 75RR

V , t A W W X 72A A

1 O R 1 . y 0 u

A 1 A.ft ft 1X Ao nU •

- X1 7r 11 71 A X V , 1 A 0 ^ 7 A J

1.981 0.14842 16 0.31696 21 0.46538 37 0,72836 22

1 • 7 O ^ U • X *T O ^ Q 1X Ao U • X Q r ^ A U n . 4f. 5 n 1 U * ( A 0 X t 9A 3^

1 0 ft A 1 A-ft 1 n X1 Ao U • X 0 ^ ? A X U . "Oto 7 rt . 7 ?70

U . ' A / 7 X A93

1 O fi A A 1 Zl7Q/i. U • X *f / 7*f X

1 Ab U • ^ X 0 J *t A X A A. A 4. 7 R U , " 0 H A 0 ^*7 A 7 9 7 A H U , / A / 0 0 9 9 A A

1 Oft ^ n 1 Zi.77ft X1 Ao U • X 0 X ^ A X U , "O -> 7 X ^ 0 A » 7 ?74ft U • ' A 1 to A9 J

1.986 0.14762 16 0.31592 20 0,46355 37 0,72723 22

1 Q D 7

1 . y o 1 A 1 y* 7 A U . XH /'to X O

A "J 1 A 7 "5 U . ^ 1 P / A ^ X A A A >l 1 fl U • Ho J X 0

"17 J f A 7 9 7 A 1 9 ^ A 3

1 » yoo A 1 /i 7 'a A 0 . I't / J 0 X 5 0.31351 <i X

ft A. A 9 Q 1 0 • Ho AO X ^0•a A ft 7 9 A 7 Q 0 • f AO / 09 1 A 3

1 n o o

1 . 9oy A 1 A 7 1 R U

XH / 1

16 A "2 1 A Q A 0.31530 0 ft ^0 ft A A 9 /• 0 • Ho A HD ft 7 9 A R 9 9 A A

1 O Q n 1 . yy 0 A 1 A A Q O u . XHoy

y

X

1 AO

A "5 1 1 A (J . ^ 1 P 1 U X A A A 9 A ft U • HO A U 0 :30A A 7 9 A U • f AO J ^ 9A ^

1.991 0.14683 16 0.31489 21 0.46172 37 0.72610 23

1 0 0 9 i . y y ^ A 1 A A A 7 U . X t- O D ( X1 AO

n 1 A A R U . J X *T 0 0 S> A ft ^ A A 1 S U • H 0 X J A • 7 ? S ft 7 A9 A9

i • y y J U . X O X X P

A 1 A A R ^ 1 A A A A Q Q U • H 0 U ^ 7 J ft0 A . 7 ? Sft "i U . f A J 0 P A9 ^

i . y y H A 1 A A A U . X *f O^O 1X AO

A 1 A 9 7 U • J X '+ A f A X A A A A A "^l U • Ho U 0 9

•^7 A 7 9 R A 9 U . f A -3 t A 9 14 A 3

1 . yy 3 A 1 A i T A

10.3 1406 20 ft / £ ft 0 £. 0.'t-6026 0 A 36 A 7 0 A 1 A 0 . / A 5 1 9 A A

1.996 0.14604 16 0.31386 21 0.45990 36 0,72497 23

1.997 0.14588 15 0.31365 20 0.45954 37 0,72474 23

1.998 0.14573 15 0.31345 21 0.45917 36 0.72451 22

1.999 0,14557 16 0.31324 20 0,45881 36 0.72429 23

2.0C0 0.14541 0.31304 0.45845 0.72406

69
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z _(Fo_eo)/rt

u A (HO-Eo)/RTu So/R A C^R A

2*000 0.14541 15 0.31304 21 0.45845 36 U a 23

2.001 0.14526 16 0.31283 21 0.45809 36 Oi,72383 22

2.002 0.14510 16 0.31262 20 0.45773 37 > 7236

23

2.003 0 • 14494 15 0.31242 21 0.45736 36 0.,72338 23

2.004 0.14479 16 0.31221 20 0.45700 36 0.,72315 22

2. 005 0.14463 15 0.31201 21 0.45664 36 Oi,72293 23

2.006 0.14448 16 0.31180 20 0.45628 36 0,,72270 23

2. 007 0 ,14432 15 0.31160 21 0.45592 36 0« 72247 22

2. 008 0.14417 16 0.31139 20 0.45556 36 0. 72225 23

2.009 0.14401 15 0.31119 20 0.45520 36 0. 72202 23

2.010 0 . 14386 16 0. 3 1099 2

0. 45484 36 0<,72179 22

2.011 0.14370 15 0.31078 20 0.45448 35 0<,72157 23

2.012 0 .14355 16 0.31058 21 0.45413 36 ,72134 23

2.013 0 .14339 15 0.31037 20 0.45377 36 0.,72111 22

2.014 0.14324 15 0.31017 20 0.45341 36 0<,72089 23

2.015 0.14309 16 0,30997 21 0.45305 36 Oi,72066 23

2.016 0.14293 15 0,30976 20 0.45269 35 0,,72043 23

2.017 0.14278 15 0. 30956 21 0.45234 36 0«,72020 22

2.018 0 .14263 16 0,30935 20 0.45198 36 0.,71998 23

2.019 0.14247 1

0, 30915 20 0.45162 35 0<,71975 23

2.020 0.14232 15 0.30895 2 1 0.45127 36 71952 22

2.021 0.14217 16 0.30874 20 0.45091 36 ,71930 23

2.022 0,14201 15 0.30854 20 0.45055 35 71907 23

2.023 0.14186 15 0.30834 20 0.45020 36 0,,71884 23

2.024 0.14171 15 0.30814 21 0.44984 35 0. 71861 22

2.025 0,14156 16 0,30793 20 0.44949 36 0< 71839 23

2.026 0,14140 15 0,30773 20 0.44913 35 Oi 71816 23

2 .027 0,14125 15 0, 30753 20 0 . 44o7o 3t> Oi 71793

2.028 0,14110 i 5 0.30733 /i A Q A O JO 0. 71770 C.£. 2.029 0. 14095 15 0,30712 20 0 . O 0 ' 35 0. 71748 £.i 2.030 0. 14080 15 0.30692 20 A A *7 "7 O 0.44 ilZ 35 0« 71725 o "a c.i

2.031 0.14065 15 0.30672 20 0.44737 36 Oi,71702 23

2.032 0. 14050 1

0. 30652 2

0.44701 35 Oi 71679 d £. 2.033 0 ,14035 16 0,30631 20 0 . 4i(-666 35 Oi 71657 O 'X 2.034 0 , 14019 15 0.30611 20 A A ^ Q 1 0 . 4M-03 i 35 Oi,71634 O 'X £.2 2 .035 0 , 14004 15 0, 30591 20 0 . 44-5 96 3o Oi 71611 C i

2.036 0,13989 15 0.30571 20 0.44560 35 Oi 71588 22

2 .037 0 , 13974 15 0.30551 20 0.44525 Oi,71566 CO

2.038 0,13959 1 C 15 0.30531 20 0 . 44490 Oi 71543

2.039 0 ,13944 14 0.30511 2

0. 44455 35 0. 71520 CD

2.040 0,13930 15 0. 30490 20 0.44420 35 0« 71497 22

2.041 0,13915 15 0.30470 20 0.44385 35 0« 71475 23

2.042 0,13900 15 0. 30450 20 0. 44350 35 0« 71452 23

2.043 0,13885 15 0. 30430 20 0.44315 35 Oi 71429 Z3

2.044 0,13870 15 0.30410 20 0.44280 35 Oi 71406 23

2.045 0.13855 15 0.30390 20 0.44245 35 Oi 71383 22

2.046 0.13840 15 0.30370 20 0.44210 35 0. 71361 23

2.047 0.13825 15 0.30350 20 0.44175 34 Oi 71338 23

2.048 0.13810 14 0.30330 20 0.44141 35 0. 71315 23

2.049 0,13796 15 0.30310 20 0.44106 35 0. 71292 23

2.050 0,13781 0.30290 0.44071 0. 71269

70
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

A

AaA A C^R

2.050 0.13781 15 0.30290 20 Oi.44071 35 Oi,71269 22

2.051 0.13766 15 0.30270 20 0,,44036 35 Oi,71247 23

2.052 0.13751 14 0.30250 20 0,,44001 34 0.,71224 23

2.053 0.13737 15 0.30230 20 0,,43967 35 Oi,71201 23

2.054 0.13722 15 0. 30210 20 0.,43932 35 Oi,71178 23

2.055 0.13707 14 0.30190 20 0,,43897 34 Oi,71155 22

2.056 0.13693 15 0.30170 20 Oi,43863 35 Oi,71133 23

2.057 0.13678 15 0.30150 20 0.,43828 34 0.,71110 23

2.058 0.13663 14 0.30130 19 Oi,43794 35 Oi,71087 23

2.059 0.13649 15 0.30111 20 0.,43759 34 0<,71064 23

2.060 0.13634 15 0.30091 20 0<,43725 35 Oi,71041 22

2.061 0.13619 14 0.30071 20 0.,43690 34 Oi,71019 23

2.062 0.13605 15 0.30051 20 0.,43656 35 Oi,70996 23

2.063 0.13590 14 0.30031 20 Oi,43621 34 Oi,70973 23

2.064 0.13576 15 0.30011 20 Oi,43587 34 Oi,70950 23

2.065 0.13561 14 0.29991 19 Oi,43553 35 0.,70927 23

2.066 0.13547 15 0.29972 20 Oi,43518 34 Oi,70904 22

2.067 0.13532 14 0.29952 20 Oi,43484 34 Oi,70882 23

2.068 0.13518 15 0.29932 20 Oi,43450 35 Oi,70859 23

2.069 0.13503 14 0.29912 20 Oi,43415 34 Oi,70836 23

2.070 0.13489 15 0.29892 19 0<,43381 34 Oi,70813 23

2.071 0.13474 14 0.29873 20 0<,43347 34 Oi, 70790 23

2.072 0.13460 14 0.29853 20 Oi,43313 34 Oi,70767 23

2.073 0.13446 15 0.29833 20 Oi,43279 34 Oi,70744 22

2.074 0.13431 14 0.29813 19 Oi,43245 34 Oi,70722 23

2.075 0.13417 15 0.29794 20 Oi 43211 35 Oi,70699 23

2.076 0.13402 14 0.29774 20 Oi,43176 34 Oi 70676 23

2.077 0.13388 14 0.29754 19 Oi 43142 34 Oi,7065 3 23

2.078 0.13374 15 0.29735 20 Oi,43108 34 Oi,70630 23

2.079 0.13359 14 0.29715 20 0.,43074 34 Oi 70607 23

2.080 0.13345 14 0.29695 19 Oi,43040 33 Oi 70584 22

2 .081 0.13331 14 0.29676 20 Oi 43007 34 Oi 70562 23

2.082 0.13317 15 0.29656 20 Oi 42973 34 Oi 70539 23

2.083 0.13302 14 0.29636 19 Oi 42939 34 Oi 70516 23

2.084 0,13288 14 0.29617 20 Oi 42905 34 Oi 70493 23

2.085 0.13274 14 0.29597 19 Oi 42871 34 Oi 70470 23

2.086 0.13260 14 0.29578 20 Oi,42837 33 0. 70447 23

2.087 0.13246 15 0.29558 20 Oi,42804 34 Oi 70424 23

2.088 0.13231 14 0.29538 19 Oi 42770 • 34 Oi 7040 1 23

2.089 0.13217 14 0.29519 20 Oi,42736 33 0. 70378 22

2.090 0.13203 14 0.29499 19 Oi,42703 34 Oi 70356 23

2.091 0.13189 14 0 .29480 20 0,,42669 34 0. 70333 23

2.092 0.13175 14 0.29460 19 0.,42635 33 Oi 70310 23

2 .093 0.13161 14 0.29441 20 0.,42602 34 Oi 70287 23

2.094 0.13147 14 0.2942 1 19 Oi,42568 33 Oi 70264 23

2.095 0.13133 14 0 .29402 20 Oi,42535 34 Oi 70241 23

2.096 0.13119 14 0.29382 19 0,,42501 33 Oi 70218 23

2.097 0.13105 14 0.29363 20 0.,42468 34 Oi 70195 23

2.098 0.13091 14 0.29343 19 0.,42434 33 Oi 70172 22

2.099 0.13077 14 0.29324 20 Oi,42401 34 Oi 70150 23

2.100 0.13063 0.29304 0 ,42367 0.,70127

71
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

X -(,il"-Jigj/Hi ( TPO TTO \ /tJ T Aa

A o / n A C^R A

2.100 0,13063 14 0.29304 19 0.42367 33 0 .70127 23

2.101 0.13049 14 0.29285 20 0.42334 34 0 .70104 23

2. 102 0.13035 14 0.29265 19 0.42300 33 0 .70081 23

2.103 0.13021 14 0.29246 19 0.42267 33 0 .70058 23

2.104 0.13007 14 0.29227 20 0.42234 33 0 .70035 23

2.105 0.12993 14 0.29207 19 0.42201 34 0 .70012 23

2.106 0.12979 13 0.29188 19 0.42167 33 0 .69989 23

2.107 0.12966 14 0.29169 20 0.42134 33 0 .69966 23

2.108 0.12952 14 0.29149 19 0.42101 33 0 .69943 23

2.109 0.12938 14 0.29130 19 0.42068 33 0 .69920 23

2.110 0.12924 14 0.29111 20 0.42035 33 0 .69897 23

2.111 0.12910 13 0.29091 19 0.42002 34 0 ,69874 22

2.112 0.12897 14 0.29072 19 0.41968 33 0 .6985 2 23

2.113 0.12883 14 0.29053 20 0.41935 33 0 ,69829 23

2.114 0.12869 14 0.29033 19 0.41902 33 0 .69806 23

2.115 0.12855 13 0.29014 19 0.41869 33 0 .69783 23

2.116 0.12842 14 0.28995 20 0.41836 33 0 .69760 23

2.117 0.12828 14 0.28975 19 0.41803 33 0 .69737 23

2.118 0.12814 13 0.28956 19 0.41770 32 0 .69714 23

2.119 0.12801 14 0.28937 19 0.41738 33 0 .69691 23

2.120 0.12787 14 0.28918 19 0.41705 33 0 .69668 23

2.121 0.12773 13 0.28899 20 0.41672 33 0 .69645 23

2.122 0.12760 14 0.28879 19 0.41639 33 0 .69622 23

2.123 0.12746 14 0.28860 19 0.41606 33 0 ,69599 23

2.124 0.12732 13 0.28841 19 0.41573 32 0 ,69576 23

2.125 0.12719 14 0.28822 19 0.41541 33 0 .69553 23

2.126 0.12705 13 0.28803 20 0.41508 33 0 •69530 23

2.127 0.12692 14 0.28783 19 0.41475 32 0 .69507 23

2.128 0.12678 13 0.28764 19 0.41443 33 0 ,69484 23

2.129 0.12665 14 0.28745 19 0.41410 33 0 ,69461 23

2.130 0,12651 13 0.28726 19 0.41377 32 0 ,69438 23

2.131 0,12638 14 0.28707 19 0.41345 33 0 ,69415 23

2.132 0,12624 13 0.28688 19 0.41312 32 0 ,69392 23

2.133 0,12611 14 0.28669 19 0.41280 33 0 ,69369 22

2.134 0,12597 13 0.28650 19 0.41247 32 0 ,69347 23

2.135 0.12584 13 0.28631 19 0.41215 33 0 ,69324 23

2.136 0.12571 14 0.28612 19 0.41182 32 0 ,69301 1 3 2.137 0.12557 13 0.28593 19 0.41150 33 0 ,69278 23

2.138 0.12544 13 0.28574 20 0.41117 32 0 ,69255 23

2.139 0.12531 14 0.28554 19 0.41085 32 0 ,69232 23

2.140 0.12517 13 0.28535 19 0.41053 33 0 ,69209 23

2.141 0,12504 13 0.28516 19 0.41020 32 0 ,69186 23

2.142 0.12491 14 0.28497 18 0.40988 32 0 ,69163 23

2. 143 0.12477 13 0.28479 19 0.40956 32 0 ,69140 23

2.144 0.12464 13 0.28460 19 0.40924 33 0 ,69117 23

2.145 0.12451 14 0.28441 19 0.40891 32 0 ,69094 23

2.146 0,12437 13 0.28422 19 0.40859 32 0 ,69071 23

2.147 0,12424 13 0.28403 19 0.40827 32 0 ,69048 23

2.148 0,12411 13 0.28384 19 0.40795 32 0 ,69025 23

2.149 0,12398 13 0.28365 19 0.40763 32 0 ,69002 23

2.150 0,12385 0.28346 0.40731 0 ,68979

72
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z -(F0-E°)/RT A (HO-Eg)/RT A S°/R A A

^? •

. 1x 5 nu n . 1 2 38 5 14 n . 7fl 34fi 1X 97 n . 4ft 7 3 1 33 ^ 9 \7 fi? 7 f 7 73

2.151 0.12371 13 0.28327 19 0.40698 32 0.68956 23

. X t. 0.12358 13 0 . 28 3n8 19 n . 4n6ftft 32 n . 6893 3 23

0.17345 1

V • ^ ^ O 7 1X 97 ft . 4ftft 34 3? u * V 0 7 X u 23

fl . 1 7332 1X J3 n * 7 ft ?7 n X1 R0 ft . 4nft ft32 U # V W 0 W f A23•? t . X 0.12319 13 n . 282 5 2 X197 ft. 4ft57n ^3 X1 • U U W V ^ 23A J

2.156 0.12306 13 0.28233 19 0.40539 32 0.68841 23

5.157 fl . 1 7793 1

X J n . 7fl 7 1 4 1 <3 X 7 A . 4n5ft7 37 ft . ftftft 1 fi 73

5 • 1 5fi n . 1 7 7fl n X1 3J n • 7fl 1 <55 1X 97 ft . 4ft475 3? n.ftfl795 73

n . 1 7 7 ft 7 1X 3-7 ft . 7ft 1 7ft X 7 ft . 4ft443 37 ft . ftft77 7 73

n . 1 7754 14 n . 7fl 1 5 7 1X ft0 ft»4ft41

37 ft.ftR749 V . u 0 1^7 73

2.161 0.12240 13 0.28139 19 0.40379 32 0.68726 23

? . 162 0 .12227 13 0 . 28 120 19 0.40347 31 0.68703 23

? > 163 0.12214 13 0.28101 19 0. 40316 32 0. 68680 23

2 . 164 0.12201 12 0.28082 18 0. 40284 32 0.68657 23

? . 165 0.12189 13 0 . 28064 19 0.40252 32 0.68634 23

2.166 0.12176 13 0.28045 19 0.40220 31 0.68611 24

7.167 0.12163 13 . 78r)?ft 19X 7 ft . 4ft 18 9 3? ft. 68587 73

7 1 R n . 1 7 1 5n 1

X ^ n . 7 R nn 7 1X 80 ft . 4ft 1 57 3 1 n . ft ft S A4 73

7 . 1 ft<3 nu . 17137 X ^ X ^ r X1 3_^ 1X 97 ft . 4ft 17ft 37 n. ft fl*5473

^ 17a 2 . i ' 0

O 17 1 7A A 7 7Q 7 A 11 0

A Zl A A Q /l 7 A A Q R 1 fi 7 3

2.171 0,12111 13 0.27951 18 0.40062 31 0.68495 23

7.177 n 17 no ft X13J n . 7 7<3 3 3 1X 97 u • ^ U U J X 37 ft - ftft47 7 73

7 . 1 7'? n . 1 2 08 5 13X J n . 77Q

U . ^ ' 7 X U^ X1 97 u # 7 7 7 7 J3 X1 ft.ftR449 73

2 , 174 0.12072 12 0.27895 18 0. 39968 32 0.68426 23

7.175 0 . 1 2 060 13 0.27877 19 0.39936 3

X ft. 684ft 3 23

2. 176 0.12047 13 0.27858 18 0.39905 31 0.68380 23

7.177 0 • 12034 13 n. 27840 19 0. 39874 32 ft. 68357 23

? . 1 78 0.12021 13 0.27821 19 0.3984? 3

^ X 0.68334 23

t • J. ' 7 0. 12008 12 n . 27802 1

X U U # 7 U X X 32 9 V W ^ X X A23J

^ • J. o u A X X 7 7 O 1

X J X 7 n * "^Q 77Q ^ X n - ft ft 2ft A 23

2.181 0.11983 13 0.27765 18 0.39748 31 0.68265 23

2.182 0.11970 12 0.27747 19 0.39717 31 0.68242 23

2.183 0 . 11938 13 0.27728 18 0 > 39686 32 0.68219 23

2. 184 0.11945 13 0.27710 19 0. 39654 31 0.68196 23

2. 185 0.11932 12 0.27691 19 0.39623 31 0,68173 23

2. 186 0.11920 13 0.27672 18 0.39592 31 0.68150 23

7 1 R 7 n 11 Qn7 1 n 9 7 A C\ A 1 Qi 7 ^ X A A (5 1 9 7 A ^

A 1 1 Q O / 1 o X d1 0

1 0

0 1 3 i 0 • 00 104

O TOO f\ 1 T Q O O 0.1188^ 1 o

i 3 0 .27617 1 0 lo 0 . 39499 32 0.6808 1 24

2.190 0 . 1 i8o9 1

IV 0 . 3946

3

/^ £ 0 A C ^

0 . ooQDT

2.191 0.11856 12 0.27580 18 0.39436 31 0.68034 23

^ • i 7 U • i i OH-H 1 A "7 7 ^ A 7 1 QX 7 A 0 A A<^ J i A A (3 A 1 1 U • oou X

9 'a ^ • 1 J U • X 1 O -> J. X1 ^7 A . 7 75 A 3 1 ft X 0 A Q 7 A ^ 11 A A 7 OA 0 U • 0 f 7 0 0 <: J> 7t. *• X1 94^ ~ 0,11819 13 A .77575 X1 97 • 7 -/ *T ^ ..^ X n. ft79ft 23

• X 7 ^ W • X X O Vrif o X1 ^7 U • c. 1 u 0 X1 ft0 U • -> 7 ^ jL <i A

9 3J

2.196 0.11794 13 0.27488 19 0.39281 30 0.67919 23

2.197 0.11781 12 0.27469 18 0.39251 31 0.67896 23

2.198 0.11769 13 0.27451 18 0.39220 31 0.67873 23

2.199 0.11756 12 0.27433 19 0.39189 31 0.67850 23

2.200 0.11744 0.27414 0.39158 0.67827

638951 O - 62 - 6 73
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

X -fF°-E°)/RT A (h°-eo)/rt A s°/r A c°/r

p

A

2.200 0.11744 13 0.27414 18 0.39158 31 0 .67827 23

2.201 0.11731 12 0.27396 18 0.39127 31 0 .67804 23

2.202 0.11719 13 0.27378 19 0.39096 30 0 .67781 23

2.203 0.11706 12 0.27359 18 0.39066 31 0 .67758 23

2.204 0.11694 12 0.27341 18 0.39035 31 0 .67735 24

2.205 0.11682 13 0.27323 19 0.39004 31 0 .67711 23

2.206 0.11669 12 0.27304 18 0.38973 30 0 .67688 23

2.207 0.11657 13 0.27286 18 0.38943 31 0 .67665 23

2.208 0,11644 12 0.27268 19 0.38912 31 0 .67642 23

2.209 0.11632 12 0.27249 18 0.38881 30 0 .67619 23

2.210 0.11620 13 0.27231 18 0.38851 31 0 .67596 23

2.211 0. 11607 12 0.27213 18 0.38820 30 0 .67573 23

2.212 0.11595 12 0.27195 19 0.38790 31 0 ,67550 23

2.213 0.11583 12 0.27176 18 0.38759 30 0 .67527 23

2.214 0.11571 13 0.27158 18 0.38729 31 0 .67504 23

2.215 0.1 1558 12 0.27140 18 0.38698 30 0 .67481 23

2.216 0.11546 12 0,27122 18 0.38668 31 0 .67458 23

2.217 0.11534 12 0.27104 19 0.38637 30 0 .67435 24

2.218 0.11522 13 0.27085 18 0.38607 30 0 .67411 23

2.219 0.11509 12 0.27067 18 0.38577 31 0 .67388 23

2.220 0,11497 12 0.27049 18 0.38546 30 0 ,67365 23

2.221 0.11485 12 0.27031 18 0.38516 30 0 .67342 23

2.222 0,11473 12 0.27013 18 0.38486 31 0 .67319 23

2.223 0,11461 12 0.26995 19 0.38455 30 0 .67296 23

2.224 0,11449 13 0.26976 18 0.38425 30 0 .67273 23

2.225 0.11436 12 0.26958 18 0.38395 30 0 .67250 23

2.226 0.11424 12 0.26940 18 0.38365 31 0 .67227 23

2.227 0.11412 12 0.26922 18 0.38334 30 0 .67204 24

2.228 0,11400 12 0.26904 18 0.38304 30 0 ,67180 23

2.229 0.11388 12 0.26886 18 0.38274 30 0 ,67157 23

2.230 0.11376 12 0.26868 18 0.38244 30 0 ,67134 23

2.231 0,11364 12 0.26850 18 0.38214 30 0 ,67111 23

2 .232 0,11352 12 0.26832 18 0. 38184 30 0 .67088 23

2.233 0,11340 12 0.26814 18 0.38154 30 0 .67065 23

2.234 0,1 1328 12 0.26796 18 0.38124 30 0 ,67042 23

2. 235 0,1 1316 12 0.26778 18 0. 38094 30 0 .67019 23

2.236 0,11304 12 0.26760 18 0.38064 30 0 ,66996 23

2.237 0,11292 12 0.26742 18 0.38034 30 0 .66973 24

2.238 0,11280 12 0.26724 18 0.38004 30 0 ,66949 23

2.239 0.11268 12 0.26706 18 0.37974 30 0 .66926 23

2.240 0.11256 12 0.26688 18 0.37944 30 0 ,66903 23

2.241 0.11244 12 0.26670 18 0.37914 30 0 ,66880 23

2.242 0.11232 11 0.26652 18 0.37884 29 0 .66857 23

2.243 0.11221 12 0.26634 18 0.37855 30 0 ,66834 23

2.244 0.11209 12 0.26616 18 0.37825 30 0 .66811 23

2.245 0.11197 12 0.26598 18 0.37795 30 0 .66788 23

2.246 0.11185 12 0,26580 18 0.37765 29 0 ,66765 24

2.247 0.11173 12 0.26562 17 0.37736 30 0 ,66741 23

2.248 0,11161 11 0.26545 18 0.37706 30 0 ,66718 23

2.249 0,11150 12 0.26527 18 0.37676 29 0 ,66695 23

2.250 0,11138 0.26509 0.37647 0 ,66672

74
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z _(Fo_Eo)/rT (HO-Eg)/RT A & C^R

0 . 1 1 13R 12X ^ 0\J .% C-\J ?^>5J 09\J 7 X1 RV 0 . 37647 30 A73

2.251 0.11126 12 18 0.37617 30 0.66649 23

? . 252 0.11114 12 0 • 26473 18 0.37587 29 0.66626 23

£,»£.•> 3 U . X X X w A X X U • A O *T 1X 71 30 A . A A A A U ft o O OVJ ^ A7 3

VJ . X X U 7 X X A ^ S A O ^ ^ O 1X Ro O . 3 7 7R A797 A - A A s ft n U ft O D -/ O V A^74

nU . 111 X n7o U ' 7 1X A7 A 9 AZl 9 A X1 Ro U . -3 » 7 A A A R R A U ft OO 9 O A9 J

2.256 0.11067 11 0.26402 18 0.37469 29 0.66533 23

o o c; "7 f\ 1 1 n t^ A 1 9 i AA 9 A Q A U • AO :3 f 1 ft A 7 A A A •2 A A A A A 1 A 0 ft ooD 19 -a A J

o c o U # i i Uft- 1 9 i A

A 9 A O A A U • AO J OO A "3 7 /i 1 A 9 O A 7 A A A A ft 7 0 ft OO**"© f Z • /i-> V U • 1 1 U-^ A X 1 A 9 A A O U • AO ^'f 7

1 ft X o A ^ 7 ft 1 •3 A A A A A A A 0 • OoHO 9 "5 A J

U • 1 1 JL X1 A9 A 9 A a -2 1 U • aO ^ ^ X

1 ft X o U ft f 1 A9Q7 A AAZlAI U • 00*r*t X 9A J

2.261- 0.11009 12 0.26313 18 0.37322 29 0.66418 23

U • X V 7 7 f X X nU •

* ^9 AD ^9 Q7 ^P X r n 7 9 Q U . ^ f A 7^ ^ U

A A A Q A At9Zl u J. U 7 o o 1X A9 A 9 A 9 7 ft 1 ft X o n J 7 9 A "1 <J . J f AO ^

7 Q A 7 A A A 7 1 U ft OO ^ r X9A J

<1 . ^lOf X

1 1X A 9 A 9 A A U • ^O A o U

TXOft 9 Q A 7 A A A A ft U ft OO ^H- o9 "a A ^ 2 • Zo3 A 1 n Q A X1 A9 A 9 A 9 A 9 U • AO AH

X 1 ^ A A A A "^t 9 A 0 ft OO 3 A 9

9 'a A i

2.266 0.10951 12 0.26225 18 0.37175 29 0ft66302 23

O OAT A 1 no Q X 1 A 9 A 9 A 7 U • A O A U f 1 ft X oA 7 1 A A U ft ( XH-O 9 O ^1 7 A A A 9 7 Q 0 ft O 0 A f 7 9A 3 Z • ^oo A 1 AQ 9 1X A9 A 9 A 1 ft Q U • A O X O 7

1X 7/ A '^7117 U ft ' 1 X / 9 0 A 7 A A A 9 ^ A U ft O 0 A 9 O 9A ^

•5 9 AO n 1 n Q 1 A 1X 1X A 9 A 1 7 9 U • A O X I C.

1 ft X O A 7 Aft ft

(J ft 1 UO O 9QA 7 A A A 9 U ft OO ^ ^ ^ A9 ^ ^ • ^ ( u W • X W 7 V li> X U • A O X li' H X1 fto U ft ( U 7 ^ u A . A A 9 1 A ^ ft V O b X u A94"

2.271 0.10893 11 0.26136 17 0.37029 29 0.66186 23

^ . ^ • ^ VJ . X V O (>> A 12 U . A O X X 7 X1 fisj 79A 7 O - ftft 1 ft 3 7 3

5 . ?73 nU .. XI r)ft7n V o ( 1

0V •. A7ft 1X nU 1X X1 8\J 0- 3ft971 ^797 0 . ftft 1 40 73

7.774 . X V O 7 12 0 . 7 ft OR X r n 3ft947 7 ^.Z ft X X 1 73

^ . ^ < n 1 nR4 7 1 1 X X U . A o u o o 1X fto n A Q

u

Joyij A9Q7 A A A A Q A U ft o O U 7 *+ A9 ^

2.276 0.10836 12 0.26048 17 0. 36884 29 0,6607 1 23

9 . ?77 0 . 1 0fi24 1

X X n . ?ftn3

U . A O U X X u A797 A . ftftn4R A74^

A . A ( O 0 . 10fil3 X X 0W •. A?ftm U W X 3 1X R^ 0 - 3ft fl 7ft 79A 7 0 • ftft074 73A

A? . 279 A 1 7 0 . 10802 12 0U .. A75995 7 7 ^ 17 79^ 7 O . ftftOO

73

A • A O U 0-1 0790 1

X X U . A 7 f O 1X Ro nU - A 7 Aft ft D # O O A 7 0 . ft'597fl A ^

2.281 0.10779 12 0.25960 17 0.36739 29 0.65955 23

7 . 282 0.10767 1

0. 25943 18 0 . 3ft7 1 0 79 0.65932 V ft V ^ ^ c 23

2.283 0 . 10756 11 0.25925 17 0 . 3ft6828 ^ ft W 7 y 7 23

2.284 0. 10745 12 0.25908 18 0.3665 3 29 0.65886 23

2 .285 0.10733 1

0 .25890 17 0 .36624 29 0.6586 3 24

2.286 0.10722 11 0.25873 18 0.36595 29 0.65839 23

9 9ft7 A • A O ( n 1 n7 1 1 u . X u ( X X X1 A9 A 9 S R ^ 1X 7f A A A A J ft -5 O O D 9QA 7 A A A ft 1 A U ft O 9 O X O

9A 9

9 9 ft R A . A O O U . X UO 7 7

1 1 X X A 9 ^1 ft ^ ft 1 ft X O A A 7 U ft -3 O J f AO9 ft A A 7 O U ft O 9 ( 7 :? 9A D

9 9 O A . AOi' n 1 HAR Q 1 1 1A 9 Q O A U • A 9 O A U

1 vX / A ^ A ^ A O U ft -> U 7 9QA 7 A A 7 7 A 0 ft O 9 / f 0

9A 3

A9 . A9 97 0(J n 1 nA7 7 1X X1 nU • A9 R ftO nU 1X 7f A A jttft A U ft O H-O U A9Q7 A - A S 7 4 7 (J ft O f H f A9 ^->

2.291 0.10666 12 0.25786 18 0.36451 29 0.65724 23

A . A 7 ^ w . X w w ^ 1

X X n . ?'S7ftft X

1 7f nU . 3ft4?? O ^ A A A7fiO o. ftS7n

A74^

A . A 7 ^ U . X ^

1 1 X X 0U • 9 "S 7S 1 . A r «^ X 1 fl X o U • ^ 7 A7Q7 A ft S ft 7 7 7^^ A ^

9 9QZl A . A 7*+ n 1 r>A'^ 9 U . X UD A

1 1 X 1 n 9 7 1 7J. / n A A c^ 9 R A O A A ^ A A 9 "a A J

O 9 O f\ 1 n z: 9 1 U . J.UOA 11 9 i A 0 . A3 / 16 A "2 £ O O "7 0 . J6337 O A Zv 0.O76 J 1 ci

2.296 0.10609 11 0.25699 18 0. 36308 29 0.65608 23

2.297 0.10598 11 0.25681 17 0.36279 28 0.65585 23

2.298 0.10587 11 0,25664 18 0.36251 29 0.65562 23

2.299 0,10576 11 0.25646 17 0.36222 28 0.65539 24

2.300 0,10565 0.25629 0.36194 0.65515

75
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X

1^ / 7 _ ITT = hcv/KT

z -(f°-e°)/rt A (H°-Eo)/RT So/R A C^R A

2,300 0.10565 11 0.25629 17 0.36194 29 0 ,65515 23

2.301 0.10554 11 0 .25612 18 0.36165 28 0 ,65492 23

2.302 0.10543 12 0 1 25594 17 0.36137 28 0 ,65469 23

2.303 0.10531 11 U

"? C\ 7 -7 17 0.36109 29 0 ,65446 23

2.304 0.10520 1

Au . 9 K K £. n 18 0.36080 28 0 ,65423 23

2.305 0.10509 nU 1 ^ 7 P H ^ 17 0.36052 29 0 ,65400 24

2.306 0.10498 11 0 .25525 17 0.36023 28 0 ,65376 23

2 .307 0. 10487 ^1 u

9 R ^ Aft 17 0.35995 2o 0 ,65353 23

2.308 0,10476 1

0 <

•5 C A Q 1 18 0.35967 29 0 ,65330 23

2.309 0.10465 11 0<.25473 17 0.35938 28 0 ,65307 23

2.310 0.10454 0 . 25456 17 0.35910 28 0 .65284 23

2.311 0.10443 11 0 .25439 17 0.35882 28 0 ,65261 23

2.312 0.10432 10 .25422 18 0.35854 29 0 ,65238 24

2.313 0.10421 11 0 ( 17 0.35825 28 0 ,65214 23

2.314 0.10410 1

0

O C O O 7 .23 38 17 0.35797 28 0 ,65191 23

2.315 0.10399 0

O ^ "7 A 17 0.35769 28 0 ,65168 23

2.316 0.10388 11 0..25353 17 0.35741 28 0 ,65145 23

2.317 0.10377 1

0 < O C O O £.

1 21? 336 17 0.35713 28 0 ,65122 23

2.318 0.10366 1

Q 4 O R -a 1 o 18 0.35685 28 0 ,65099 23

2.319 0.10355 11 0

"5 "a 1 17 0.35657 28 0 ,65076 24

2.320 0.10344 10 n

U

O C O Q A

1 Z7 ^ o ^ 17 0,35629 28 0 ,65052 23

2.321 0.10334 11 0 .25267 17 0,35601 28 0 .65029 23

2.322 0.10323 1U t 17 0.35573 28 0 ,65006 23

2.323 0.10312 1

r\U ^ O R 9 O •! 17 0.35545 28 0 ,64983 23

2.324 0.10301 11 U 41 ^ -/ ^ X o 17 0.35517 28 0 ,64960 23

2.325 0.10290 r\U 1 t P 1 ? 7 17 0.35489 28 0 .64937 24

2.326 0.10279 11 0.,25182 18 0,35461 28 0 ,64913 23

2 .327 0.10268 10 1 ^ ^ X D H- 17 0.35433 28 0 ,64890 23

2.328 0. 10258 1

r\

ft ^ X / 17 0.35405 28 0 ,64867 23

2.329 0, 10247 1

n

U 4> ^ X J u 17 0. 35377 28 0 ,64844 23

2.330 0.10236 11 Au >1^7X1^ 9 S 1 1 17 0.35349 27 0 ,64821 23

2.331 0.10225 11 0..25096 17 0.35322 28 0 ,64798 23

2.332 0.10214 IQ U <1 ^ 7 U * 7 17 0.35294 28 0 .64775 24

2.333 0.10204 11 n

. 9 s n A 9 17 0.35266 28 0 .64751 23

2.334 0.10193 1

U 11 1 v U *+ 17 0.35238 27 0 .64^28 23

2.335 0.10182 10 U 1 9 C A p o 17 0.35211 28 0..64705 23

2.336 0.10172 11 0«,25011 17 0.35183 28 0 ,64682 23

2.337 0.10161 11 U <» i H 7 7 *T 17 0.35155 28 .64659 23

2.338 0.10150 10 1 t. •+ 7 r / 17 0.35127 27 0 .64636 24

2.339 0. 10140 1

nU 1» t *T 7 D U 17 0.35100 28 0..64612 23

2.340 0.10129 0 < 17 0.35072 27 0.,64589 23

2.341 0.10118 10 0«,24926 16 0.35045 28 0.,64566 23

2 . 342 0.10108 1

0.,24910 17 0^.35017 27 0<,64543 23

2.343 0.10097 10. 24893 17 0.34990 28 0<,64520 23

2.344 0.10086 10 0.,24876 17 0.34962 27 Oi,64497 23

2.345 0, 10076 I

1

0.,24859 17 0.34935 28 Oi,64474 24

2.346 0.10065 0. 24842 17 0.34907 27 0.,64450 23

2.347 0.10055 0. 24825 17 0.34880 28 0.,64427 23

2.348 0.10044 Oi 24808 17 0.34852 27 0.,64404 23

2.349 0.10033 10 0. 24791 17 0,34825 28 0.,64381 23

2.350 0. 10023 0. 24774 0.34797 0. 64358

76
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

_CTi'o_Eo') /rt

0 (h°-e°)/rt So/R A

2.350 0. 10023 11 u • £ *+ / f *+ 16 27 AU .ft43«;fl 23

2.351 0.10012 10 V 17 (J , H I f U 27 A

U

. A4 3 3 S 24

2.352 0.10002 11 u 17 U 28 AU . A43 1 1 23

2.353 0.09991 10 0 .24724 17 0 .34715 27 0 .64288 23

2.354 0.09981 11 0 .24707 17 0 ,34688 27 0 .64265 23

2.355 0.09970 10 n , 2469 0 16 n , 3466

28 A , 64242 23

2.356 0.09960 11 > ^ f t ^ 17 \j . 34633 27 Aw ,642 1

23

2.357 0.09949 10 .24657 17 n . 34606 27 A\J .64196 23

2.358 0.09939 11 0 ,24640 17 0 ,34579 27 0 »64173 24

2.359 0.09928 10 0 ,24623 16 0 .34552 27 0 •64149 23

2.360 0.09918 10 u 17 u

a AS 28 A

u

^ £.A 1 9 A 23

2.361 0.09908 11 U , ^ *f -> V u 17 \J a A/. Q7 27 A *1 AOHA 1 AHJ -) 23

2.362 0.09897 10 0 17 0

"a A A 7 A 27 A

0

A A A Q A 23

2.363 0.09887 11 0 ,24556 16 0 ,34443 27 0 .64057 23

2.364 0.09876 10 0 ,24540 17 0 ,34416 27 0 ,64034 24

2.365 0.09866 10 U 17 0

A ^ Q O 27 0

/LA OHOA 1 Ai. 0 23

2.366 0.09856 11 U 16 U t -? H- JO 27 Au

. A^Qft7 23

2.367 0.09845 10 u 17 U <1 J H -> .J 3 27 AO J 7 O *+ 23

2.368 0.09835 10 0 ,24473 17 0.,34308 27 0 ,63941 23

2.369 0.09825 11 0 ,24456 16 0,,34281 27 0 ,63918 23

2.370 0.09814 10 nu t ^^^^ \j 17 u <. 342SZ1. 27 u < 1 U .7 O 7 ^ 23

2.371 0.09804 10 u 17 u *> ^ ^ ^ ^ 1 27 u <.63872 24

2.372 0.09794 11 u » c *T*t y o 16 A ,. 2 AA 27 A -, o 7 o *T o 23

2.373 0.09783 10 0 .24390 17 0.,34173 27 0<,63825 23

2.374 0.09773 10 0 ,24373 17 0.,34146 27 0.,63802 23

2.375 0.09763 10 AU 16 U 11 H A X 7 27 U 4.^>377Q , O 7 f 17 23

2.376 0.09753 11 nU i

i 17 , 34092 26 w 4,63756 23

2.377 0.09742 10 nu 4* 1 *• J ^ ^ 16 » 34nA

1 ^ y w *J 27 U 4 63733 24

2.378 0.09732 10 0,,24307 17 0.,34039 27 Oi,63709 23

2.379 0.09722 10 0 ,24290 16 0<,34012 27 0<,63686 23

2.380 0.09712 10 0\j , 24274 17 ,33985 26 ,63663 23

2.381 0.09702 11 .24257 17 ,33959 27 ft. 63640 23

2.382 0.09691 10 , 24240 16 33932 27 ft. 63617 23

2.383 0.09681 10 0.24224 17 o« 33905 27 0. 63594 23

2.384 0.09671 10 0,,24207 16 Oi,33878 26 0. 63571 24

2.385 0,09661 10 n1 d ^ 1. 7 X 17 U 1 ^3 ^HD o ^J c2 27 U 1 o J J ^ ( 23

2.386 0.09651 10 U 1 16 0 4

•3 -a Q 0 c;

, .7 O <1 D 26 A0

O ^4 23

2.387 0.09641 10 r\0 1, 1 3 B 17 0

a "3 7 O Q 27 A <i "S c: A 1 23

2.388 0.09631 11 Oi,24141 16 0. 33772 27 0< 63478 23

2.389 ^ 0.09620 10 0,,24125 16 0«,33745 26 0. 63455 23

2.390 0.09610 10 0 17 27 A0 4 A 'a A ^ 0 O J*f J A 23

2.391 0.09600 10 0

O /, A O O 16 0

a ^ A Q "5 26 A0 4 A ^ A A O O .5H0 V 24

2.392 0.09590 10 0

^ it A "7 17 0< 27 A0

O O Q C 23

2.393 0.09580 10 U

p A A Q 16 u < 26 A A A 9 23

2.394 0.09570 10 0 ,24043 17 0.,33613 27 0«,63339 23

2.395 0.09560 10 0 ,24026 16 0.,33586 26 0. 63316 23

2.396 0.09550 10 0 ,24010 16 0<,33560 26 0. 63293 23

2.397 0.09540 10 0 ,23994 17 0.,33534 27 0. 63270 24

2.398 0.09530 10 0.,23977 16 0. 33507 26 Oi 63246 23

2.399 0.09520 10 0.,23961 16 0. 33481 26 0. 63223 23

2.400 0.09510 0 .23945 0.,33455 Oi,63200

77
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z _(Fo_eo)/rt A (h°-e°)/rt A A A

2.400 0.09510 10 0.23945 17 0.33455 27 0.63200 23

n A o c^ n r\ 1 Ai 0

A O O O O O 0 • ^3 72o Id 0.33428 26 0.63177 23

1 A i 0

A O O A 1 T 0.23912 17 0.33402 26 0.63154 23

^ Ann A A Q A Q i'^ 1 A A O Q O A C 0 • 23o99 16 0.33375 27 0.63131 23

0 n Q4.71X Au

A 9 ft 7 O 1 AX o9 A AO A £ O 1 A D 0 . o^ 10 8

9 A

2't 2.405 0.09460 10 0.23863 16 0.33323 26 0.63084 23

1 n 0 . 9 'lift 4

1

T 7r A n n 9 Q 7 U • ^ 9 A 7 f 9 A A £. ^ A ^ 1 0 .0306

9 d 23

o ^ A 07 o A - 9 ft A 1 AXO U • ^ 3 A / 1 9 7 2 / A £. O A O O 23

o ^ A n A X uA ^ 9 a Q 1 A U • J O X 't 1X AO A n 9 A A 209 A A A '3 A 1 A

(J . 030 1 9

9 d 23

9 - 40Q X1 nuA * 9 -2 7 Q o

X

1 7( A CI 9 1 Q U • 9 9 ^ 1 O 9 A A A 900 9 0.

ATV A

9 Ci 2.410 0.09411 10 0.23781 16 0.33192 26 0.62969 23

9 1 1 /I . H i 1 •l-U A 9 7 A R 1 A A0*3Ct "2 1 A A 3 loo 9 A 2o A A 9 OA A 0 • 027'f o

9 d 23

^ . *t J. ^ U » U 7 7 X X u AU •

* ^9 "^74 9 / •+ Q7 X1 AD A Ci -2 1 A A U • 9 9 1*tU 9 A A A 90 9 CI U

Da 7 A D A*f 9 A

Z . J- J

r\ A Q "5 Q 1 U U 7 :3 O 1

1 n A O n 7 '^l "a 1 7 A CI Q 1 1 /i 0 • 33 1 l^f 2o A ^ O O O A

0 • o2o 79 23

A OQ 7 1 A 9 7 T A U • ^ 9 / X O

1 AX DA Ci d Aft ft ^D9 A A A 9 ft 7 A U • O AO r O9 d

2.415 0.09362 10 0.23700 16 0.33062 26 0.62853 23

^ . 't lO AU nU Q7 ^^ J^ ^? X u A 9 A P A XO1 A A Ci Q A -3 /L U • 9 9 U 30 AO9 A A A 9 Q CI A

U

OaO 90 9 -a a3

^9 .

« 4t 1X 71 0 0 0 '^4 ? 1X nu AU 9 A A ft • ^ 9 OO O X1 Ao A Ct o A 1 A U • 9 9 U 1 U9 A A A 9ft A 7 9A J

•5 A. 1 P . H ± 0

1 n A 9 "a A t^ 9 1 7 A Ci o O fi /, U • ^ A 7 O'f 9 A AO A A 9 7 Q A U • 02 r 04 9 "a a3

A D 0 7 ? g A 9 A C, U • ^ 9 O 9 9

1 AX O A CJ O OK Q U • 9 A 7 9 0 AO9 A A A 9 7 A 1 0 • O A r O 1 Af9A

2.420 0.09313 10 0.23619 16 0.32932 26 0.62737 23

A A Q "5 A U • U 7 J U

1i n0

A O A Q 1 A A Ci o o A 0 • 32 7 06 9 £. a6 A £ 9 T 1 A 0.6a / 14 23

1 /. T '5 A A A O Q n 10 A T O C O *7 0 • 2390 7 16 A Q 1 O O /\ 0 • 32oo0 26 0.62691 23

2 • H^3 A A O O Q "3 9

A O O C ^ 1 0« 2397

16 0* 32o94 26 0. 62668 23

n n Q 7 7 A •1- UA 9 "a Ci c^ c, U • ^ ^ 9 9 91 A 1 oA Ci 7 Q 7 Q U • -9 A O 2 O9 A A 9 A A D . O AOf9 ^ a3

2.425 0.09264 10 0.23539 17 0.32803 26 0.62622 23

<:

n n Q P R A. U » U 7 ^ 3 H- Q7 A 9 9 7 U • ^ 9 9 ^ 1X AO A CI o 7 77 U • 9 A r f f AO9 A A A 9 Q O 0 • O A 9 7 7 A*f 9 A

•J A. 7 7 A n Q 94

X1 Au

A 9 ^ A A U • <i 9 9 (J O XO1 A A CJ 9 7 c 1 U • 9 A r 9 1 ^O9 A A A 9 ^ 7 R U • O A 9 f 99 d A J

5 Zi 9 R ^ . H^o AU

A 0 7 R • U 7 ^ -> 13 X1 AU

A _ 9 AO A \J • c. 9*+7 U1X AO A ci 9 7 o c U • 9 ^ / A 9 aO9 A A A 9 ^ R 9 U • O ^9 9 A 9^

. H ^ V

AU n Q P ^ # U 7 ^ ^ IP A

7 A 9 A7 A 1 A1 0

A Ci 9 A QO U • 9 ^ O 7 7 9 ^ A 9 A A 9 9 O U • O A 9 A 79 d A ^ 2.430 0.09216 10 0.23458 16 0.32674 26 0.62506 23

n A Q 9 n A, U • U 7 ^ U O i

1 nU A 9 AA 9 1 A 1 O A Ci 9 A A O U • -5 ^ O^O aO9 A A A 9 Aft Ci 0 • o C^O 39A 3

9 Zi'^ 9 nU A Q 1 Q A « U 7 X 7 O q A - 9 A 9 A U • ^ 9 H ^ O 1X Ao A 9 A 9 9 ^9«i9 A A 9 A.A A U • O AtO u

9^^ A^

9 4 A A Q 1 R 7 X1 nu AU • ^9 9 ZtH X1 AU X1 Ao A "^9^07 U • 9 t 9 7 f ^9 AO A A94.'^7 U • O A^ J / A9 'i5

9 4^4 0 - OQ 1 77 1X nu AV -0 t.9 J Q47 *T 1X Ao A - 9 S7 T A9 AO A - A94 1

2.435 0.09167 9 0.23378 16 0.32545 25 0*62390 23

9 Zi. A A AQ 1 ^ ft X u U . ^ ^ O X1 Ao U . J ^ V <1 (J A9 AO A A 9 A 7 O • O A O f 9 A A Q 1 A f3 U • U 7 1 *+d Qy

n 9 "5 Zl A 1 A1 oA 9Zi.OZl 9 ^ A 3 A A 9 Ci A A 0 • O a9HH' A9 ^

2 • 't-^o A A O 1 "2 Q U • U 7 1 ^ 7 X 0

t\ 9 ^ ^ ^ A 0 . <i -P J ^ 01 A io A 9 A A O AO9 A A A 9 Ci 9 1 0 • OA ^ A 1 A39 ^

2 . 4:!9 A A A 1 "5 O 9

rt 9 O O 1 A io A "2 9 A A O 9 A AO A £. O 9 O O 0 • o227

9 H a3

2.440 0,09120 10 0.23296 16 0.32417 25 0.62275 23

2 •4'fl A A A 1 1 A

0 • 0 7 i i U

1 A A O O O Q T 0 •2328 2 16 A Q 9 ^ Ci 9 9 ^ a6 0 • o229 29 "a A 3

9 A A 9 A A Q 1 A A U • U 7 i U Uo7 A 9 CI O A A iO1 A A 9 A A 9A 3 A A 9 9 9 Q 0 • O 4C A A 7 A*T 2 . A A O A O 1 U • U 7 U7 X

1 A A 7 "2 9 A 1 A. A 9 '3 A 1 9 A A A 9 9 A 0 • O A aO 9 9^

9 ZlZlA A A Q A ft 1 U • U 7 (JO X o7 A 9 9 A U • <i9^ 9H- 1X Ao

A •J 9 •a 1 A AO9 A A * A 9 1 ft 9 A 5

A A Q A7 9 X1 Au A 9 9 1 ft U • ^ 9 ^ X O X

1 Ao

A -19 9 OA A A - A 9 1 Q U • O A X 7

2.446 0.09062 9 0.23202 16 0.32265 26 0.62136 23

2.447 0.09053 9 0.23186 16 0.32239 25 0.62113 23

2.448 0.09044 10 0.23170 15 0.32214 25 0.62090 23

2.449 0.09034 9 0.23155 16 0.32189 26 0.62067 23

2.450 0.09025 0.23139 0.32163 0.62044

78
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

X -(f°-e°)/rt A (h°-e°)/rt A S°/R A C°/R

P

A

2.450 0.09025 10 0.23139 16 0.32163 25 D. 62044 23

2.451 0.09015 9 0.23123 16 0.32138 25 0 .62021 24

2.452 0.09006 10 0.23107 16 0.32113 26 0 ,61997 23

2.453 0.08996 9 0.23091 16 0.32087 25 0 ,61974 23

2.454 0.08987 9 0.23075 16 0.32062 25 0 ,6195 1 23

2.455 0.08978 10 0.23059 15 0.32037 25 0 ,61928 23

2.456 0.08968 9 0.23044 16 0.32012 26 0 .61905 23

2.457 0.08959 10 0.23028 16 0.31986 25 0 ,61882 23

2.458 0.08949 9 0.23012 16 0.31961 25 0 ,61859 23

2.459 0.08940 9 0.22996 16 0.31936 25 0 •61836 23

2.460 0.08931 10 0.22980 15 0.31911 25 0 ,61813 24

2.461 0.08921 9 0.22965 16 0.31886 25 0 ,61789 23

2.462 0.08912 9 0.22949 16 0.31861 25 0 i61766 23

2.463 0.08903 10 0.22933 16 0.31836 25 0 .61743 23

2.464 0.08893 9 0.22917 15 0.31811 25 0 .61720 23

2.465 0.08884 9 0.22902 16 0.31786 25 0 ,61697 23

2.466 0.08875 9 0.22886 16 0.31761 25 0 .61674 23

2.467 0.08866 10 0.22870 16 0.31736 25 0 ,61651 23

2.468 0.08856 9 0.22854 15 0.31711 25 0.,61628 23

2.469 0.08847 9 0.22839 16 0.31686 25 0 ,61605 23

2.470 0.08838 9 0.22823 16 0.31661 25 0 ,61582 24

2.471 0,08829 10 0.22807 15 0.31636 25 0<,61558 23

2.472 0.08819 9 0.22792 16 0.31611 25 0<,61535 23

2.473 0.08810 9 0.22776 16 0.31586 25 0.,61512 23

2.474 0.08801 9 0.22760 15 0.31561 25 0<,61489 23

2.475 0.08792 9 0.22745 16 0.31536 25 Oi,61466 23

2.476 0.08783 10 0.22729 16 0.31511 24 0<,61443 23

2.477 0.08773 9 0.22713 15 0.31487 25 0«.61420 23

2.478 0.08764 9 0.22698 16 0.31462 25 0..61397 23

2.479 0.08755 9 0.22682 16 0.31437 25 0<.61374 23

2.480 0.08746 9 0.22666 15 0.31412 24 0<.61351 24

2.481 0.08737 9 0.22651 16 0.31388 25 Oi.61327 23

2.482 0.08728 10 0.22635 15 0.31363 25 0. 61304 23

2.483 0.08718 9 0.22620 16 0.31338 24 Oi 61281 23

2.484 0.08709 9 0.22604 15 0.31314 25 0« 61258 23

2.485 0,08700 9 0.22589 16 0.31289 25 0<.61235 23

2.486 0.08691 9 0.22573 15 0.31264 24 0. 61212 23

2.437 0,08682 9 0.22558 16 0.31240 25 Oi.61189 23

2.488 0,08673 9 0.22542 16 0.31215 25 0«.61166 23

2.489 0.08664 9 0.22526 15 0.31190 24 Oi.61143 23

2.490 0.08655 9 0.22511 16 0.31166 25 Oi.61120 23

2.491 0.08646 9 0.22495 15 0.31141 24 0.,61097 23

2.492 0.08637 9 0.22480 16 0.31117 25 0,,61074 23

2.493 0.08628 9 0.22464 15 0.31092 . 24 Oi.61051 24

2.494 0.08619 9 0.22449 15 0.31068 25 Oi.61027 23

2.495 0.08610 9 0.22434 16 0.31043 24 Oi 61004 23

2.496 0.08601 9 0.22418 15 0.31019 24 0..6098

23

2.497 0,08592 9 0.22403 16 0.30995 25 Oi.60958 23

2.498 0.08583 9 0.22387 15 0.30970 24 0. 60935 23

2.499 0,08574 9 0.22372 16 0.30946 25 Oi,60912 23

2.500 0.08565 0.22356 0.30921 Oi.60889

79
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

Z -tF°-Egj/RT AA (,H°-E° j/RT s°/r A C^R A

2.500 0,08565 9 0.22356 15 0 .30921 24 0.60889 23

2.501 0,08556 9 0.22341 15 0 , 30897 24 0.60866 23

2.502 0,08547 9 0.22326 16 0 ,30873 25 0.60843 23

2.503 0.08538 9 0.22310 15 0 , 30848 24 0.60820 23

2.504 0,08529 9 0.22295 16 0 ,30824 24 0.60797 23

2.505 0,08520 8 0.22279 15 0 .30800 24 0.60774 23

2.506 0,08512 9 0.22264 15 0 ,30776 25 0.6075

23

2.507 0,08503 9 0.22249 16 0 •30751 24 0.60728 24

2.508 0.08494 9 0.22233 15 0 ,30727 24 0.60704 23

2.509 0.08485 9 0.22218 15 0 .30703 24 0.6068

23

2.510 0,08476 9 0.22203 16 0 ,30679 24 0.60658 23

2.511 0.08467 9 0.22187 15 0 ,30655 24 0.60635 23

2.512 0.08458 8 0.22172 15 0 ,30631 25 0.60612 23

2.513 0.08450 9 0.22157 16 , 30606 24 0.60589 23

2.514 0.08441 9 0.22141 15 0 .30582 24 0.60566 23

2.515 0.08432 9 0.22126 15 0 ,30558 24 0.60543 23

2.516 0,08423 9 0.22111 15 0 ,30534 24 0.60520 23

2.517 0,08414 8 0.22096 16 0 ,30510 24 0.60497 23

2.518 0,08406 9 0.22080 15 0 ,30486 24 0.60474 23

2.519 0,08397 9 0.22065 15 0 ,30462 24 0.60451 23

2.520 0,08388 9 0,22050 15 0 ,30438 24 0.60428 23

2.521 0,08379 8 0.22035 15 0 ,30414 24 0.60405 23

2.522 0.08371 9 0.22020 16 0 ,30390 24 0.60382 23

2.523 0.08362 9 0.22004 15 0 ,30366 24 0.60359 23

2.524 0.08353 9 0.21989 15 0 ,30342 24 0.60336 23

2.525 0.08344 a 0,21974 15 0 ,30318 23 0.60313 23

2.526 0.08336 9 0,21959 15 0 ,30295 24 0.60290 23

2.527 0.08327 9 0.21944 16 0 ,30271 24 0.60267 23

2.528 0.08318 8 0.21928 15 0<,30247 24 0.60244 23

2.529 0.08310 9 0.21913 15 0<,30223 24 0.60221 23

2.530 0.08301 9 0.21898 15 0.,30199 24 0.60198 24

2.531 0.08292 8 0.21883 15 0 ,30175 23 0.60174 23

2.532 0.08284 9 0.21868 15 0 ,30152 24 0.60151 23

2.533 0.08275 8 0.21853 15 0<, 30128 24 0.60128 23

2.534 0.08267 9 0.21838 15 0 30104 24 0.60105 23

2.535 0.08258 9 0,21823 16 0.,30080 23 0.60082 23

2.536 0,08249 8 0.21807 15 0 ,30057 24 0.60059 23

2.537 0.08241 9 0.21792 15 0.,30033 24 0.60036 23

2.538 0.08232 8 0.21777 15 0 i,t 30009 J \J \J \J ^ 23 0.60013 23

2.539 0,08224 9 0 .21762 15 0.,29986 24 0.59990 23

2.540 0,08215 9 0.21747 15 0.,29962 23 0.59967 23

2.541 0,08206 8 0.21732 15 0. 29939 24 0.59944 23

2.542 0,08198 9 0.21717 15 0. 29915 24 0.59921 23

2.543 0,08189 8 0.21702 15 0.,29891 23 0.59898 23

2.544 0,08181 9 0.21687 15 0. 29868 24 0.59875 23

2.545 0.08172 8 0.21672 15 0.,29844 23 0.59852 23

2.546 0.08164 9 0.21657 15 0, 29821 24 0.59829 23

2.547 0.08155 8 0.21642 15 0. 29797 23 0.59806 23

2.548 0.08147 9 0.21627 15 0,,29774 24 0.59783 23

2.549 0.08138 8 0.21612 15 0.,29750 23 0.59760 23

2.550 0.08130 0.21597 0. 29727 0.59737

80
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

AT -fpo-Eol /RT fH°-E°") /RT c°/r

P

A

2.550 0.08130 9 0.21597 15 0.29727 23 0.59737 23

2.551 0,08121 8 0.21582 15 0.29704 24 0.59714 23

2.552 0,08113 9 0.21567 15 0.29680 23 0.59691 23

2.553 0,08104 8 0.21552 15 0.29657 24 0.59668 23

2.554 0.08096 8 0.21537 15 0.29633 23 0.59645 23

2.555 0,08088 9 0.21522 14 0.29610 23 0.59622 23

2.556 0,08079 8 0.21508 15 0.29587 24 0.59599 23

2.557 0,08071 9 0.21493 15 0.29563 23 0.59576 23

2.558 0,08062 8 0.21478 15 0.29540 23 0.59553 23

2.559 0.08054 8 0.21463 15 0.29517 23 0,59530 23

2.560 0.08046 9 0.21448 15 0.29494 24 0.59507 23

2.561 0,08037 8 0.21433 15 0.29470 23 0.59484 23

2.562 0.08029 8 0.21418 15 0.29447 23 0.59461 23

2.563 0.08021 9 0.21403 14 0.29424 23 0.59438 23

2.564 0.08012 8 0.21389 15 0.29401 23 0.59415 23

2.565 0.08004 8 0.21374 15 0.29378 23 0.59392 23

2.566 0,07996 9 0.21359 15 0.29355 24 0.59369 23

2.567 0,07987 8 0.21344 15 0.29331 23 0.59346 23

2.568 0,07979 8 0.21329 14 0.29308 23 0.59323 23

2.569 0,07971 9 0.21315 15 0.29285 23 0.59300 23

2.570 0,07962 8 0.21300 15 0.29262 23 0.59277 23

2.571 0,07954 8 0.21285 15 0.29239 23 0.59254 23

2.572 0,07946 9 0.21270 14 0.29216 23 0.59231 23

2.573 0,07937 8 0.21256 15 0.29193 23 0.59208 22

2.574 0,07929 8 0.21241 15 0.29170 23 0.59186 23

2.575 0,07921 8 0.21226 15 0.29147 23 0.59163 23

2.576 0,07913 8 0.21211 14 0.29124 23 0.59140 23

2.577 0,07905 9 0.21197 15 0.29101 23 0.59117 23

2.578 0.07896 8 0.21182 15 0.29078 23 0.59094 23

2.579 0,07888 8 0.21167 14 0.29055 23 0.59071 23

2.580 0.07880 8 0.21153 15 0.29032 23 0.59048 23

2.581 0.07872 9 0.21138 15 0.29009 22 0.59025 23

2.582 0.07863 8 0.21123 15 0.28987 23 0.59002 23

2.583 0.07855 8 0.21108 14 0.28964 23 0.58979 23

2.584 0.07847 8 0.21094 15 0.28941 23 0.58956 23

2.585 0.07839 8 0.21079 14 0.28918 23 0.58933 23

2.586 0.07831 8 0.21065 15 0.28895 22 0.58910 23

2.587 0.07823 8 0.21050 15 0.28873 23 0.58887 23

2.588 0.07815 9 0.21035 14 0.28850 23 0.58864 23

2.589 0.07806 8 0.21021 15 0,28827 23 0.58841 23

2.590 0.07798 8 0.21006 15 0.28804 22 0.58818 23

2.591 0.07790 8 0.20991 14 0.28782 23 0.58795 23

2.592 0.07782 8 0.20977 15 0.28759 23 0.58772 23

2.593 0.07774 8 0.20962 14 0.28736 22 0.58749 22

2.594 0.07766 8 0.20948 15 0.28714 23 0.58727 23

2.595 0.07758 8 0.20933 14 0.28691 23 0.58704 23

2.596 0.07750 8 0.20919 15 0,28668 22 0.5868 1 23

2.597 0.07742 8 0.20904 14 0,28646 23 0.58658 23

2.598 0.07734 8 0.20890 15 0,28623 22 0.58635 23

2.599 0.07726 8 0.20875 14 0.28601 23 0.58612 23

2.600 0.07718 0.20861 0.28578 0.58589

81
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z -(f°-e°)/rt

u A (H0-E°)/RT A So/R A C°/R A

2.600 0,07718 8 0.20861 15 0.28578 22 0.58589 23

n n77 1

Q A 9 Aft Zl. A i *+ A 9 Q A C\ A 23 A R Q A A 0 . 3 o366 923

•5 tf. n 9 U . U r f U A

0 A 0 A Q Q 0 1i-> 0 0 C 0 0 0 • Z oP 33 22 0.58543 23

") A> fi

(1 • O U J n n7ftQZi Q A 9 A D 1 7 A 9 0 P T T 0 • A05 1

23 A C 0 C 9 A 0.38320 23

? .604 n • n7ftfift Q0 nU *• AP Au R0 Au

A 9 ft 4R R U • A 0 H-O 0 9 3 2 ^ A ft fl AO 7 0 . 3 Of7 1 9 '3 23

2.605 0,07678 8 0.20788 14 0.28466 23 0.58474 23

2.606 Q0 n . ?n774 1X Jft A 9 R 4Zl 3 3 A A R A A 1 9 9 A A 0 .n7ftft? Q0 n • 9 n 7 R Q i H A 9 ft A 9 1 U • A 0 H- A 1 2 J A A ft A 9 0 (J # -) o4 Ay 9 '3 A 3

^ . w ^ o n\J .% n7ft54 \J 1 \j ^ ^ Q0 U . A U t 1X ftZJ A 9 fl OR U • ^ 0 ^ 7 0

9 9 2 a

A A ft A A ^ U • -3 0400 a3

? .609 0 . 07646 R0 ^X 4^ A ^ 9 Q 07

A3 A9 A A R R 9 2.610 0.07638 8 0.20716 15 0.28354 23 0.58360 23

9 . ft 1 1 U • U r D -? U

00 A - 9 A 7 A T 1 Zl A 9 R 1 9 9 A A A ft ft "^l 7 0 . 3 0 3 J / 239 n

^ . O 1 (1 n n7 A ?

u • U 1 0 ^ ^

00 A 9 A Afi 7 1 Zl A 9 R A 0 9 9 2 A 0.30314 9 ^ 2 3

9 ft 1 n n 7 A 1 Zl Q A 9 A A 7 ^ 1

A 9 D 9 Q 7 0 # A 0 AO f 9 CI 2 J A Q 9 Q 1 0 . 3 o29

9 Q 23

T ft 1 /l nu n 7 A n A # U f 0 ut> Q A 9 A A t\ D U

aUoD 0

A 9 0 9 /. U • A 0 A04 T 9 22 A R 0 9 A 0 0.3 8 268 9 Q 23

2.615 0.07598 8 0.20644 15 0#28242 22 0.58245 23

•? ft 1 ft n n 7 Q n 7 A 9 A A 9 0 U A U 0 A 7 X H A 9 R 9 9 A U • A 0 A A U

9 9 2 A A ft P 9 9 9 0 . 3 OA A 29 9 A A 7.617 0 .07583 6 n\J .• 7^ nU AU 1JL s 14 A - ? ft 1 Qfi A U . 0 A u u A ^7 •

f»O 1.1 Ro n 07 S7 00 A - 9 A A A 1 1 ft X ZJ A 9 R 1 7 9 9 A A A0.301/ ft ft 1 7 7/ 9A J ^•0x7 n n7 s A

Q0 A . 9 A R R A X1 AH A ? R 1 S U • A 0 X IP ^ A9 A9 A R a 1e; A 0 . 3 0 X 3 H A9 ^ 2.620 0.07559 8 0.20572 14 0.28131 22 0.58131 23

2 . o<: 1 U • U IDOL Q A ") n R c 0

1 3 A O 0 T A 0

0 . 2 0 1 09 22 0.38108 23

2.622 n A "7 C /» Q f\ O A C /. 0 14 A 9 0 A 0 "7 0.28087 23 0. 58085 A 0 23

2.623 r\ n "7 c "2 c -7

f A 0 A C 0 0 0.203 29 14 0 . 28064 A T 22 0 . 5 806 2 23

2 . o2t n ri 7 9 c Q0 1 3 A 9 £3 A /. 0 0 . A 0 042 9 9 22 A K Q A Q

0 » 3 00 3 y

9 'X 2 3

2.625 0.07520 8 0.20500 14 0.28020 22 0.58016 22

0 A 9 ft 2 • t> ^ 0 U » U f I? 1 ^ A 9 A Q A 1 Zl A 9 7 Q 0 Q U • A f yy 09 9 A A A A 7 Q Q /i U • / 7 7 4 9 ^

•5 ft P 7 2 . 0 ^ ( rv n 7 n A Q0 A 9 AZl7 9 U • A (JH ( A 1 Zl A 9 7 Q 7 A U • A f 7 / 0 ^9 A9 A A 7 Q 7 T 9A ^

"5 ft P H nu • n7AQA u I H-y 0

"7

( A 9 AZl ^ R A 9 7 Q A A (J • A / 7 PM- A9 A9 A A 7 04 R A9 ^

•5 ft ? Q 2 . 0 7 n n 7 A. A 0 00 A 9 AZlZl 1 Zl A 9 7 Q 9 u • A 1 y J c A9 9A A A 7Q 9 A A9 ^ 2.630 0,07481 8 0.20429 14 0.27910 22 0.57902 23

•5 ft ^ 1 2 . 0 i i Q0 A 9 AZj. 1 ^ 1 Zl

J, H- A 9 7 R ft R A9 A9 A A 7R 7 Q 3"^ A 3

7 ft ? 7 A . 9 AZl A 1 X A ? 7R A

A9 AP A - A 7ft A A A9 A3

9 ft n n74SR 00 AU -• A9 AU -> R0 A0 1 Zl X *T A ? 7fl 44 A9 Ay A - A 7ft "^4 A9 D^

? ft i. n n74SQ0 AU •

. A? A?U 7( AP X " AU • A7 7ft f 0 A? A9 A9 A7 Au

. A 7ft 1 1 • ^ f 0 X X A9 3^ 2.635 0.07442 8 0.20358 14 0.27800 22 0,57788 23

2.0 •5 ft ^0'^ft 7f A 0 A S AA. 0 . ^ U ^ ^ f 1 Zl X *+ n 7 7 7 7 R \j % c. 1 I to 9 9 A A A A77AA 9*^ A ^

I »os> 1 n n 7 P 7 00 X A 9 7 7 ft A 9 9 A A A A 774 9 9A J

2 . 0 J 0

ri n 7 A 1 0 Q f\ 9 A 1 ft U . 0 5 X 3 1XHA 9 9 A A A A 77 1 0 U • -5 ' ' X 7

9*^

2 . 6 :5y 0,0 / 4 i i f A O A d A 1 0.20301 1 /i A 97710 0.2/ / 1

A 1 0 • ^ 07

9 9 A A 2.640 0,07404 8 0.20287 14 0.27691 22 0*57674 23

Z • 0^ i n n 7 Q A U U f J 7 0

00 A 9 A 9 7 TXHA A 9 7 A A Q 9 9 A A A A 7 A A T A9 ^

A A 7 0 Q 0 -7 A 9 A 9 C 0 0 • AO a!? V 1 4

A 9 7 A / 7 0 • A ( o^- { 9 9 A A A A 7 A 9 ft 0 » P / 0 A 09 'X A J 2.643 A A 7 "2 D 1 00 A 0 A 9 /• K U • A 0 A H-P 14 A 9 7 A 9 C; 0 • A /O A-> 9 9 AA A C^ 7 A K 0 • / DO -5 9 "a A ^

2 . 644 n A "7 0 7 00

A 0 A O 0 T 0 • 20 a3 1 1 D A O "7 £. A "3 0 • A To 0 3 A 1 A 7 ft 9 0^0 too d

9 '2 A 3

0 A A c; 2 . ot^ n n 7 "21 A ^ -7

f A 9 A 9 1 A (J • ^ U ^ 1

1X A*+ A 9 7 A ft 9 U • ^ / -J 0 A A9 A9 A A 7 A A Q U • f -J -J 7 A9 A9

2.646 0.07358 8 0.20202 14 0.27560 22 0.57537 23

2.647 0,07350 8 0.20188 14 0.27538 22 0.57514 23

2.648 0.07342 7 0.20174 14 0.27516 21 0.57491 23

2.649 0.07335 8 0.20160 14 0.27495 22 0.57468 23

2.650 0.07327 0.20146 0.27473 0.57445

82
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

X -(F°-Egj/RT (.H°-Eg;/RT A. A Co/R A

2.650 0,07327 7 0,20146 14 0,27473 22 0 ,57445 23

2 .651 0,07320 8 0,20132 14 0,27451 21 0 ,57422 22

c. A *=i P 0,07312 8 0,20118 14 0,27430 22 0 ,57400 23

2

£. c; "a 0 ,07304 7 0, 20 104 14 0.27408 22 0 ,57377 23

2

iL C^ ^1 0,07297 8 0,20090 14 0.27386 21 0 ,57354 23

2

c; 0,07289 7 0,20076 14 0.27365 22 0 ,57331 23

2 • 656 0,07282 8 0,20062 14 0.27343 21 0 ,57308 23

A t^ 7 0,07274 7 0,20048 14 0.27322 22 0 ,57285 22

C

>^ S • o .3 0 0,07267 8 0,20034 14 0.27300 21 0 ,57263 23

2 A R o 0,07259 7 0,20020 14 0.27279 22 0 ,57240 23

^: . AAA o o u 0,07252 8 0.20006 14 0,27257 21 0 ,57217 23

2 .661 0,07244 8 0.19992 14 0,27236 22 0 ,57194 23

<: A, A 9 0,07236 7 0. 19978 14 0,27214 21 0 ,57171 22

A A 0,07229 8 0.19964 14 0,27193 22 0 ,57149 23

. A A4 0,07221 7 0.19950 14 0,27171 21 0 .57126 23

ii . AA 0,07214 7 0.19936 14 0,27150 22 0 .57103 23

2 ,666 0,07207 8 0.19922 14 0,27128 21 0 .57080 22

O 1 o o / 0,07199 7 0.19908 14 0.27107 21 0 .57058 23

. o u o 0,07192 8 0. 19894 14 0.27086 22 0 ,57035 23

0,07184 7 0.19880 14 0.27064 21 0 .57012 23

A 7 n 0,07177 8 0.19866 14 0.27043 22 0 ,5698 9 23

2 .671 0,07169 7 0.19852 14 0.27021 21 0 .56966 22

£. A7 9 0,07162 8 0. 19838 14 0.27000 21 0 ,56944 23

<: A 7 0,07154 7 0.19824 13 0,26979 21 0 .56921 23

. 0 1 H 0,07147 7 0.19811 14 0,26958 22 0 ,56898 23

Z

A 7 c; .0(3 0,07140 8 0. 19797 14 0,26936 21 0 ,56875 22

2 .676 0,07132 7 0.19783 14 0,26915 21 0 ,56853 23

• AOff77 0,07125 8 0. 19769 14 0,26894 21 0 ,56830 23

^ A7ft 0,07117 7 0. 19755 14 0,26873 22 0 ,56807 23

* A7Q 0,07110 7 0. 19741 13 0,26851 21 0 ,56784 23

£, Afi n 0,07103 8 0. 19728 14 0,26830 21 0 , 5676 1 22

2 .681 0,07095 7 0.19714 14 0,26809 21 0 ,56739 23

A A 7 0,07088 7 0.19700 14 0,26788 21 0 > 56716 23

Z. A C ^ 0,07081 8 0.19686 14 0,26767 21 0 56693 23

z

A Zl 0,07073 7 0.19672 13 0.26746 22 0 ,56670 22

Aft R 0,07066 7 0.19659 14 0.26724 21 0<,56648 23

2 .666 0 ,07059 8 0.19645 14 0.26703 21 0.,56625 23

A fl 7 .001 0 ,0705

7 0.19631 14 0.26682 21 0 ,56602 23

.000 A (1 0,07044 7 0 .19617 14 0.26661 21 0 ,56579 22

2

A 0 0,07037 8 0 . 19603 13 0,26640 21 0 ,56557 23

2 .690 0,07029 7 0. 19590 14 0.26619 21 0 ,56534 23

2 .691 0,07022 7 0.19576 14 0.26598 21 0 .56511 22

2 .692 0,07015 7 0. 19562 13 0,26577 21 0 ,56489 23

2 .693 0,07008 8 0. 19549 14 0.26556 21 0 ,56466 23

2 .694 0,07000 7 0,19535 14 0.26535 21 0 ,56443 23

2 ,695 0,06993 7 0 ,19521 14 0.26514 21 0 ,56420 22

2 .696 0.06986 7 0.19507 13 0.26493 21 0 ,56398 23

2 ,697 0,06979 8 0. 19494 14 0.26472 20 0 ,56375 23

2 ,698 0,06971 7 0, 19480 14 0.26452 21 0 ,56352 23

2 ,699 0,06964 7 0,19466 13 0.26431 21 0 ,56329 22

2 .700 0,06957 0,19453 0.26410 0 ,56307

83
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

Z -(FO-Eg)/RT (h°-e°)/rt s°/r Co/R

2 .700 0,06957 7 0.19453 14 0,26410 21 0.56307 23

W • \J O 7 W 7 V , A 7 •+ J 7 X1 ^3 U • 6. O -) O 7 9 1 c, X A ^ A 9 A Zl U • ^ O o H- 9 "X C 7 0 5 oO it A 7 A A 5 1

c. 1 c • 703 0 .06935 7 0.19412 14 V # t- O -i' ^ 1 ^?nu V • D -J 7 2 3

2 ,704 0^06928 7 0 , 19398 13 0,26327 21 0.56216 23

2 .705 0,06921 7 0.19385 14 0,26306 21 0.56193 22

2 .706 0^06914 7 0.19371 14 0,26285 21 0.56171 23

2 .707 0,06907 7 0.19357 13 0 . 26264 20 0.56148 23

2 .708 0 .06900 7 0 . 19344 14 0.26244 2

0 * 56 1 2 S 23

2 .709 0 • 06893 8 0. 19330 13 0 ,26223 2^ X1 0-5610? ^ • U X ^ ^ 22

2 .710 0,06885 7 0,19317 14 0,26202 21 0.56080 23

2 .711 0 . 06878 7 0.19303 13 0.26181 ?n 0. 56057 23

• 71? 0 .06871 7 W • X 7 7 U X1 4^ 0 • ?6 1 6

V> , ^ O X O X ^? X1 n . 5 6n 34 2 2

* 7 1 3 \J • V O O W "f 7 • X 7 ^ f V 1X 3J O • ? 6 1 4n ^? X1 r> . 56n 1 2 2 3

. 7 14 0 .06857 7 0.1926 3 14 0.26119 • ^ U X X 7 20 O . 5 598 Q 23

2 .715 0^06850 7 0. 19249 13 0,26099 21 0.55966 22

.716 0 . 06843 7 0,19236 14 0.26078 ?o 0 • 5 5944 2 3 .717 0.06836 7 0.19222 \J m X ^ Cm C 14 0. ?6058 ^? 1X 0. 5592

.718 0.06829 7 V • X 7 ^ V U 13 0.26037 ?0 0.55898 2 2 .719 0.06822 8 0 • 19195 13 0.26017 2

0.55876 2 3 2 .720 0.06814 7 0.19182 14 0.25996 21 ©•55853 23

.721 • V V w u f 7 0.19168 1X 3 ?n n 5 5 ft 3n 2 2 .722 0 . 06800 7 0.19155 14X ^ ? X1 n • 5 58n 8 2 3 .723 0 . 06793 7 0.19141 13 O. 2 5934 ?0 0.5578 5 23

2 .724 0 . 06786 7 0.19128 14 0,25914 20 0.55762 22

2 .725 0^06779 7 0.19114 13 0,25894 21 0^55740 23

2 .726 0 ^06772 7 0.19101 14 0,25873 20 0^55717 23

2 .727 0^06765 7 0. 19087 13 0,25853 21 0^55694 22

2 .728 0,06758 7 0 . 19074 13 0,25832 20 0^55672 23

.729 0.06761 7 0. 19061 14 0,25812 2

0« 55649 22

2 .730 0,06744 7 0.19047 13 0,25791 20 0.55627 23

• 731 0 .06737 7 0 . 19034 14 0, 25771 20 0.55604 23

c.9 .7 3? 0 . 06730 7 0. 1 90?0 13 0 . 25751 C X 0.55581 22

0 .733 0 .06723 7 0 . 19 007 1

20 0,55559 23

2 • 734 0.06716 6 0 . 18994 14 0,25710 20 0,55536 23

2 .735 0,06710 7 0.18980 13 0.25690 21 0.55513 22

.736 0 .06703 7 0,18967 13 0. 25669 20 0» 5549 1 23

• 7 37 \J 0 \J \J \J ^ \J 7 0 . 18954 14 0.2 5649 20 0.5 5468 22

2 .738 0 .06689 7 0 . 18940 13 0^25629 20 0, 55446 23

.739 0 . 06682 7 0. 18927 13 0.25609 21 0,55423 23

2 .740 0,06675 7 0,18914 14 0.25588 20 0.55400 22

2 • 741 0.06668 7 0,18900 13 0.25568 20 0,55378 23

2 • 742 0 ,06661 7 0 , 18887 13 0.25548 20 0.55355 23

.ft 743 1 ~ ^ 0 .06654 7 0.18874 14 0.25528 20 0.55332 22

c • 744 0 . 06647 5 0 , 18860 13 0.25508 20 0.55310 23

2 • 745 0^06641 7 0,18847 13 0. 25488 21 0.55287 22

2 • 746 0^06634 7 0,18834 13 0.25467 20 0.55265 23

2 • 747 0.06627 7 0.18821 14 0.25447 20 0.55242 23

2 .748 0,06620 7 0. 18807 13 0.25427 20 0.55219 22

2 • 749 0,06613 7 0. 18794 13 0.25407 20 0.55197 23

2 .750 0,06606 0.18781 0.25387 0.55174

84
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z _(Fo_eo)/rt

(J A (H°-Eo)/RT

U

A s°/r A C^R A

2.750 0.06606 7 0.18781 13 0.25387 20 0.55174 22

2.751 0.06599 6 0.18768 14 0.25367 20 0 ,55152 23

2.752 0.06593 7 0.18754 13 0.25347 20 0 ,55129 22

2.753 0.06586 7 0 . 18741 13 0.25327 20 0 ,55107 23

2.754 0.06579 7 0 • 18728 13 0.25307 20 0 ,55084 23

2.755 0 .06572 7 0.18715 13 0.25287 20 0 ,55061 22

2.756 0.06565 6 0.18702 14 0.25267 20 0 ,55039 23

2.757 0.06559 7 0. 18688 13 0.25247 20 0 ,55016 22

2.758 0.06552 7 0.18675 13 0.25227 20 0 ,54994 23

2.759 0.06545 7 0. 18662 13 0.25207 20 0 ,5497

22

2.760 0.06538 6 0.18649 13 0.25187 20 , 34949 23

2.761 0.06532 7 0.18636 13 0.25167 20 0.,54926 22

2.762 0.06525 7 0.18623 14 0.25147 19 0<,54904 23

2.763 0,06518 7 0. 18609 13 0.25128 20 0(,54881 23

2.764 0.06511 6 0.18596 13 0.25108 20 0<,54858 22

2.765 0.06505 7 0.18583 13 0.25088 20 0<,54836 23

2.766 0.06498 7 0.18570 13 0.25068 20 0.,54813 22

2.767 0.06491 6 0.18557 13 0.25048 20 Oi,54791 23

2.768 0.06485 7 0.18544 13 0.25028 19 0.,54768 22

2.769 0,06478 7 0.18531 13 0.25009 20 0<,54746 23

2.770 0.06471 7 0.18518 13 0.24989 20 0.,54723 22

2.771 0.06464 6 0.18505 13 0.24969 20 0<,5470

23

2.772 0,06458 7 0 .18492 13 0.24949 19 0,,54678 22

2.773 0.06457 0.18479 13 0.24930 20 Oi,54656 23

2.774 0.06444 6 0. 18466 14 0.24910 20 0. 54633 22

2 .775 0 .06438 7 0.18452 13 0.24890 19 0. 54611 23

2.776 0.06431 6 0.18439 13 0.24871 20 0« 54588 22

2.777 0.06425 7 0.18426 13 0. 24851 20 0. 54566 23

2.778 0 .06418 7 0.18413 13 0. 24831 19 0, 54543 22

2.779 0.06411 6 0.18400 13 0.24812 20 0, 54521 23

2.780 0.06405 7 0.18387 13 0.24792 20 Oi 54498 22

2.781 0.06398 7 0. 18374 13 0.24772 19 Oa 54476 23

2.782 0.06391 6 0. 18361 12 0.24753 20 0< 54453 22

2.783 0.06385 7 0. 18349 13 0.24733 19 0. 54431 23

2 . 784 0 .06378 6 0. 18336 13 0.24714 20 0« 54408 22

2.785 0.06372 7 0.18323 13 0. 24694 19 Oi 54386 23

2.786 0.06365 6 0.18310 13 0.24675 20 0. 54363 22

2.787 0.06359 7 0.18297 13 0.24655 19 0« 5434 1 23

2.788 0.06352 7 0.18284 13 0.24636 20 54318 22

2.789 0.06345 6 0.18271 13 0.24616 19 Oi 54296 23

2.790 0.06339 7 0.18258 13 0.24597 20 54273 22

2.791 0.06332 6 0.18245 13 0.24577 19 0.,54251 23

2.792 0.06326 7 0.18232 13 0.24558 20 0. 54228 22

2.793 0.06319 6 0.18219 13 0.24538 19 Oi 54206 23

2.794 0.06313 7 0. 18206 12 0.24519 19 0. 54183 22

2.795 0.06306 6 0.18194 13 0.24500 20 Oi 54161 23

2.796 0.06300 7 0.18181 13 0.24480 19 Oi 54138 22

2.797 0.06293 6 0. 18168 13 0.24461 19 Oi 54116 22

2.798 0.06287 7 0.18155 13 0.24442 20 Oi 54094 23

2.799 0.06280 6 0. 18142 13 0.24422 19 Oi 54071 22

2.800 0.06274 0.18129 0.24403 Oi 54049

85
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

A — ( iro_Tro"i /rt uA

0

A S°/R A c°/r

V

A

2 .800 0.06274 7 0, 18129 13 0.24403 19 0.54049 23

2 .801 0.06267 6 0, 18116 12 0.24384 20 0.54026 22

2 .802 0.06261 7 0. 18104 13 0.24364 19 0.54004 23

2 .803 0.06254 6 0. 18091 13 0.24345 19 0.53981 22

2 .804 0.06248 7 0. 18078 13 0.24326 19 0.53959 23

2 .805 0.06241 6 0. 18065 13 0.24307 20 0.53936 22

2 .806 0.06235 6 0« 18052 12 0.24287 19 0.53914 22

2 .807 0.06229 7 0. 18040 13 0.24268 19 0.53892 23

2 .808 0 .06222 6 0. 18027 13 0.24249 19 0.53869 22

2 .809 0.06216 7 0. 18014 13 0.24230 19 0.53847 23

2 .810 0.06209 6 0. 18001 12 0.24211 19 0.53824 22

2 .811 0.06203 6 0. 17989 13 0.24192 20 0.53802 22

2 .812 0.06197 7 0. 17976 13 0.24172 19 0.53780 23

2 .813 0.06190 6 0. 17963 13 0.24153 19 0.53757 22

2 .814 0.06184 7 0. 17950 12 0.24134 19 0.53735 23

2 .815 0.06177 6 0. 17938 13 0.24115 19 •0.53712 22

2 .816 0.06171 6 0. 17925 13 0.24096 19 0.53690 22

2 .817 0.06165 7 0. 17912 12 0.24077 19 0.53668 23

2 .818 0.06158 6 0. 17900 13 0.24058 19 0.53645 22

2 .819 0.06152 6 0. 17887 13 0.24039 19 0.53623 23

2 .820 0.06146 7 0. 17874 12 0.24020 19 0.53600 22

2 .821 0.06139 6 0. 17862 13 0.24001 19 0.53578 22

2 .822 0.06133 6 0. 17849 13 0.23982 19 0.53556 23

2 .823 0.06127 7 0. 17836 12 0.23963 19 0.53533 22

2 .824 0.06120 6 0. 17824 13 0.23944 19 0.53511 22

2 .825 0.06114 6 0. 17811 13 0.23925 19 0.53489 23

2 .826 0.06108 7 0. 17798 12 0.23906 19 0.53466 22

2 .827 0.06101 6 0. 17786 13 0.23887 19 0.53444 23

2 .828 0.06095 6 0. 17773 12 0.23868 19 0.53421 22

2 .829 0.06089 6 0. 17761 13 0.23849 18 0.53399 22

2 .830 0.06083 7 0. 17748 13 0.23831 19 0.53377 23

2 .831 0.06076 6 0. 17735 12 0.23812 19 0.53354 22

2 .832 0.06070 6 0. 17723 13 0.23793 19 0.53332 22

2 .833 0.06064 6 0. 17710 12 0.23774 19 0.53310 23

2 .834 0.06058 7 0. 17698 13 0.23755 19 0.53287 22

2 .835 0.06051 6 0. 17685 12 0.23736 18 0.53265 22

2 .836 0.06045 6 0. 17673 13 0.23718 19 0.53243 23

2 .837 0.06039 6 0. 17660 12 0.23699 19 0.53220 22

2 .838 0.06033 7 0. 17648 13 0.23680 19 0.53198 22

2 .839 0.06026 6 0. 17635 13 0.23661 18 0.53176 23

2 .840 0.06020 6 0. 17622 12 0.23643 19 0.53153 22

2 .841 0.06014 6 0. 17610 13 0.23624 19 0.53131 22

2 .842 0.06008 6 0. 17597 12 0.23605 18 0.53109 23

2 .843 0.06002 7 0. 17585 12 0.23587 19 0.53086 22

2 .844 0.05995 6 0. 17573 13 0.23568 19 0.53064 22

2 .845 0.05989 6 0. 17560 12 0.23549 18 0.530^2 22

2 .846 0.05983 6 0. 17548 13 0.23531 19 0.53020 23

2 .847 0.05977 6 0. 17535 12 0.23512 19 0.52997 22

2 .848 0.05971 6 0. 17523 13 0.23493 18 0.52975 22

2 .849 0.05965 7 0 . 17510 12 0.23475 ]9 0.52953 23

2 .850 0.05958 0. 17498 0.23456 0.52930

86
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z -(F0-E°)/RT A (H° -e°)/rt A s°/r A C A

2.850 0.05958 6 0. 17498 13 0.23456 18 0. 52930 22

2.851

2.852

2.853

2.854

2.855

0.05952

0.05946

0.05940

0.05934

0,05928

6

6

6

6

6

0.

0.

0.

0.

0.

17485

17473

17461

17448

17436

12

12

13

12

13

0.23438

0.23419

0.23401

0.23382

0.23364

19

18

19

18

19

0.

0.

0.

0.

0.

52908

52886

52864

52841

52819

22

22

23

22

22

2.856

2.857

2.858

2.859

2.860

0.05922

0.05916

0.05910

0.05903

0.05897

6

6

7

6

6

0.

0.

0.

0.

0.

17423

17411

17399

17386

17374

12

12

13

12

13

0.23345

0.23327

0.23308

0.23290

0.23271

18

19

18

19

18

0.

0.

0.

0.

0.

52797

52774

52752

52730

52708

23

22

22

22

23

2.861

2.862

2.863

2.864

2.865

0.05891

0.05885

0,05879

0.05873

0,05867

6

6

6

6

6

0.

0.

0.

0.

0.

17361

17349

17337

17324

17312

12

12

13

12

12

0.23253

0.23234

0.23216

0.23198

0.23179

19

18

18

19

18

0.

0.

0.

0.

0.

52685

52663

52641

52619

52596

22

22

22

23

22

2.866

2.867

2.866

2.869

2.870

0,05861

0.05855

0.05849

0.05843

0.05837

6

6

6

6

6

0.

0.

0.

0.

0.

17300

17288

17275

17263

17251

12

13

12

12

13

0.23161

0.23143

0.23124

0.23106

0.23088

18

19

18

18

19

0.

0.

0.

0.

0.

52574

52552

52530

52508

52485

22

22

22

23

22

2.871

2.872

2.873

2.874

2.875

0.05831

0.05825

0.05819

0.05813

0.05807

6

6

6

6

6

0.

0.

0.

0.

0.

17238

17226

17214

17202

17189

12

12

12

13

12

0.23069

0.23051

0.23033

0.23015

0.22996

18

18

18

19

18

0.

0.

0.

0.

0.

52463

52441

52419

52396

52374

22

22

23

22

22

2.876

2.877

2.878

2.879

2.880

0.05801

0.05795

0.05789

0.05783

0,05777

6

6

6

6

6

0.

0,

0,

0.

0.

17177

17165

17153

17141

17128

12

12

12

13

12

0.22978

0.22960

0.22942

0.22924

0.22905

18

18

18

19

18

0.

0.

0.

0.

0.

52352

52330

52308

52285

52263

22

22

23

22

22

2.881

2.882

2.883

2.884

2.885

0.05771

0,05765

0,05759

0,05753

0,05748

6

6

6

56

0.

0.

0.

0.

0.

17116

17104

17092

17080

17067

12

12

12

13

12

0.22887

0.22869

0,22851

0,22833

0.22815

18

18

18

18

18

0.

0.

0.

0.

0.

52241

52219

52197

52175

52152

22

22

22

23

22

2.886

2.887

2.888

2.889

2.890

0,05742

0,05736

0.05730

0.05724

0.05718

6

6

6

6

6

0.

0.

0,

0.

0.

17055

17043

17031

17019

17007

12

12

12

12

12

0.22797

0.22779

0.22761

0.22743

0.22725

18

18

18

18

18

0.

0.

0.

0.

0.

52130

52108

52086

52064

52042

22

22

22

22

23

2.891

2.892

2.893

2.894

2.895

0,05712

0,05706

0,05700

0,05695

0,05689

6

6

56

6

0.

0.

0.

0.

0.

16995

16982

16970

16958

16946

13

12

12

12

12

0.22707

0.22689

0.22671

0.22653

0.22635

18

18

18

18

18

0.

0.

0.

0.

0.

52019

51997

51975

51953

51931

22

22

22

22

22

2.896

2.897

2.898

2.899

2.900

0,05683

0,05677

0,05671

0,05665

0,05659

6

6

6

6

0.

0.

0.

0.

0*

16934

16922

16910

16898

16886

12

12

12

12

0.22617

0.22599

0.22581

0.22563

0.22545

18

18

18

18

0.

0.

0.

0,

0.

51909

51887

51865

51842

51820

22

22

23

22

87
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

T _fFo_Eo') /rt (h°-e°)/rt s°/r C^R A

2.9 00 0.05659 5 0 • 16886 12 0.22545 18 0 .51820 22

2.901 0.05654 6 0 12 0.22527 17 0 . 51798 22

2.902 0,05648 6 0 • 16862 12 0.22510 18 0 .51776 22

2.903 0.05642 6 0 16850 12 0.22492 18 0 .51754 22

2.904 0.05636 6 0 .16838 12 0.22474 18 0 .51732 22

2.905 0.05630 5 0

1 Z. O "1 .168 26 12 0.22456 18 0 ,51710 22

2.906 0.05625 6 0 . 16814 12 0.22438 17 0 , 51688 22

2.907 0.05619 6 0 . 16802 12 0.22421 18 0 ,51666 23

2.908 0.05613 6 0 .16790 12 0.22403 18 0 ,51643 22

2.909 0.05607 5 0 . 16778 12 0.22385 18 0 ,51621 22

2.910 0.05602 6 0 . 16766 12 0.22367 17 0 ,51599 22

2.911 0.05596 6 0

1 ^ ~7 C A 12 0.22350 18 0 • 5 1577 22

2.912 0.05590 6 0

1 7 /i O 12 0.22332 18 0

1 c c c

. 3 1 3 3 P 22

2.913 0.05584 5 0 .16730 12 0.22314 17 0 ,51533 22

2.914 0.05579 6 0 .16718 12 0.22297 18 0 .5151

22

2.915 0.05573 6 0 .16706 12 0.22279 18 0 , 5 148 9 22

2.916 0.05567 6 0 12 0.22261 17 0 . 5 1H6 7 22

2.917 0.05561 5 0 12 0.22244 18 0 22

2.918 0.05556 6 0 .16670 12 0.22226 18 0 ,51423 22

2.919 0.05550 6 0 .16658 12 0.22208 17 0 ,51401 22

2.920 0.05544 5 0 . 16646 11 0.22191 18 0 ,51379 22

2.921 0.05539 6 0 . 16635 12 0.22173 17 0 ,51357 22

2.922 0.05533 6 0 .16623 12 0.22156 18 0 ,51335 22

2.923 0.05527 5 0 .16611 12 0.22138 18 0 ,51313 23

2.924 0.05522 6 0 .16599 12 0.22120 17 0 ,51290 22

2.925 0.05516 6 0 .16587 12 0.22103 18 0 , 51268 22

2.926 0.05510 5

r\u

1 *7 Q 12 0.22085 17 0 22

2.927 0.05505 6 0

1 A -a 11 0.22068 18 ft0 22

2.928 0.05499 6 0 .16552 12 0.22050 17 0 .51202 22

2.929 0.05493 5 0 .16540 12 0.22033 18 0 ,51180 22

2.930 0.05488 6 0

1 A c; "5 O 12 0.22015 17 ft0 , P 1 i 3 O 22

2.931 0.05482 6 0 . l03 iO 12 0.21998 17 0 »^ 1 Lib 22

2.932 0.05476 5 0 12 0.21981 18 0 1 D 1 i 1 H 22

2.933 0.05471 6 0 .16492 11 0.21963 17 0 ,51092 22

2.934 0.05465 6 0 .16481 12 0.21946 18 0 .51070 22

2.935 0.05459 5 0 12 0.21928 17 0 » -> lO^O 22

2.936 0.05454 6 0

1 £ y. c "7 . 1643 7 12 0.21911 17 0 22

2.937 0.05448 5 0 . 1644P 11 0.21894 18 0 , 3 1004 22

2.938 0.05443 6 0 .16434 12 0.21876 17 0 ,50982 22

2.939 0.05437 6 0 .16422 12 0.21859 18 0 ,50960 22

2.940 0.05431 5 0 . 16410 12 0.21841 17 0 30938 22

2.941 0.05426 6 0 • 16398 11 0.21824 17 0<

c A ft 1

t 309 16 21

2.942 0.05420 5 0 •16387 12 0.21807 17 0 ,50895 22

2.943 0.05415 6 0 ,16375 12 0.21790 18 0( C ft O "7 O

( 3 Oo ' 3 22

2.944 0.05409 5 0 , 16363 12 0.21772 17 0,»50851 22

2.945 0.05404 6 0 ,16351 11 0.21755 17 0.50829 22

2.946 0.05398 5 0 ,16340 12 0.21738 17 0 .50807 22

2.947 0.05393 6 0 ,16328 12 0.21721 18 0.,50785 22

2.948 0.05387 6 0 . 16316 11 0.21703 17 0.,50763 22

2.949 0.05381 5 0 ,16305 12 0.21686 17 0.,50741 22

2.950 0.05376 0 . 16293 0.21669 0.,50719

88
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z -(f°-e°)/rt

u A (h°-e°)/rt

0

So/R c°/r

p

A

2.950 0.05376 6 0. 16293 12 0.21669 17 0 ,50719 22

2.951 0.05370 5 0.16281 11 0.21652 17 0 ,50697 22

2.952 0.05365 6 0.16270 12 0.21635 18 0 ,50675 22

2.953 0.05359 5 0. 16258 12 0.21617 17 0 .50653 22

2.954 0.05354 6 0. 16246 11 0.21600 17 0 ,50631 22

2.955 0.05348 5 0.16235 12 0.21583 17 0 ,50609 22

2.956 0.05343 6 0.16223 12 0.21566 17 0 ,50587 22

2.957 0.05337 5 0.16211 11 0.21549 17 . 0 ,50565 21

2.958 0.05332 6 0.16200 12 0.21532 17 0 ,50544 22

2.959 0.05326 5 0.16188 11 0.21515 17 0 ,50522 22

2.960 0.05321 5 0.16177 12 0.21498 17 0 ,50500 22

2.961 0.05316 6 0.16165 12 0.21481 17 0 ,50478 22

2.962 0.05310 5 0.16153 11 0.21464 17 0 ,50456 22

2.963 0,05305 6 0.16142 12 0.21447 18 0 ,50434 22

2.964 0.05299 5 0.16130 11 0.21429 17 0 ,50412 22

2.965 0.05294 6 0. 16119 12 0.21412 16 0 ,50390 22

2.966 0.05288 5 0.16107 11 0.21396 17 0 ,50368 21

2.967 0.05283 6 0.16096 12 0.21379 17 0 ,50347 22

2.968 0.05277 5 0.16084 11 0.21362 17 0 ,50325 22

2.969 0.05272 5 0.16073 12 0.21345 17 0 ,50303 22

2.970 0.05267 6 0. 16061 11 0.21328 17 0 .50281 22

2.971 0.05261 5 0. 16050 12 0.21311 17 0 ,50259 22

2.972 0.05256 6 0.16038 11 0.21294 17 0 ,50237 22

2.973 0.05250 5 0.16027 12 0.21277 17 0 50215 21

2.974 0.05245 5 0.16015 11 0.21260 17 0 ,50194 22

2.975 0.05240 6 0.16004 12 0.21243 17 0 ,50172 22

2.976 0.05234 5 0.15992 11 0.21226 17 0.•50150 22

2.977 0.05229 5 0. 15981 12 0.21209 16 0<,50128 22

2.978 0.05224 6 0.15969 11 0.21193 17 0.,50106 22

2.979 0.05218 5 0.15958 12 0.21176 17 0.,50084 21

2.980 0.05213 6 0.15946 11 0.21159 17 0.,50063 22

2.981 0.05207 5 0. 15935 12 0.21142 17 0.,50041 22

2.982 0.05202 5 0.15923 11 0.21125 16 Oi 50019 22

2.983 0.05197 6 0.15912 12 0.21109 17 0.,49997 22

2.984 0.05191 5 0.15900 11 0.21092 17 0. 49975 22

2.985 0.05186 5 0. 15889 11 0.21075 17 0, 49953 21

2.986 0.05181 6 0. 15878 12 0.21058 16 0, 49932 22

2.987 0.05175 5 0.15866 11 0.21042 17 Oi 49910 22

2.988 0.05170 5 0.15855 12 0.21025 17 0. 49888 22

2.989 0.05165 5 0. 15843 11 0.21008 16 0. 49866 21

2.990 0.05160 6 0.15832 11 0.20992 17 0. 49845 22

2.991 0.05154 5 0. 15821 12 0.20975 17 0.,49823 22

2.992 0.05149 5 0.15809 11 0.20958 16 0«,4980 1 22

2.993 0.05144 6 0.15798 11 0.20942 17 0.,49779 22

2.994 0.05138 5 0. 15787 12 0.20925 17 0. 49757 21

2.995 0.05133 5 0.15775 11 0.20908 16 0. 49736 22

2.996 0.05128 5 0.15764 11 0.20892 17 0. 49714 22

2.997 0.05123 6 0.15753 12 0.20875 16 0. 49692 22

2.998 0.05117 5 0.15741 11 0.20859 17 0. 49670 21

2.999 0.05112 5 0.15730 11 0.20842 16 0. 49649 22

3.000 0.05107 0.15719 0.20826 0.,49627

638951 O - 62 - 7 89
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z -(F0-E°)/RT A '-E°)/RT s°/r A Co/R A

3.000 0,05107 5 0, 15719 12 0.20826 17 0.49627 22

O u

1 R 7 A 7 T 1 1 1 A A A Q 1 A A A O A A 9 9 U . U U " D

c;-? 0 - 1 A O A X O 7 O X X A 9 A 7 Q "a 1 7 A A Q t^ O ^ 9 1 A 1

- no W . V/ ^ V 7 X

c; 0 - 1 A o c; 1 o o ?

1 1 X 1 1X AO A ZlO A 9 9 9 A A

J • U V *t V 'J w u o 0 . 1 ^^74 X c. n * ? n 7 A A 1 7 9 9 3.005 0.05081 5 0. 15662 11 0.20743 16 0.49518 21

3.006 0 .05076 5 0 . 15651 1

n « ?o7?7 1X 7f nU .4949 . ~ 7 ^ 7 7f ? ?

3 . 007 0.05070 5 0 . 1 5640 1

X X 0 » ?07 1

X o 0U .. 4947 ^ 7'T f 5^ y 7 3.008 0 .05065 5 0 . X W t. 7 X c 0.7 U . t n6<54 U 7 T- 1X 7f O .4945 3 7 7 3 • 009 0 .05060 5 0 . 15617 1

0 . 20677 16 0. 4943

7^ X1 3.010 0.05055 5 0. 15606 11 0.20661 17 0.49410 22

3.011 0.05050 0 . 15595 0 . 20644 1X 6u 0.4938ft

3.012 0 . 05 044 5 0 . 15584 12 0. 20628 16 0.49366 2

3.013 0.05039 5 0 . 15572 1

0.20612 17 0.49345 22

3 .0 14 0,05034 5 0

15561 1

0.20595 16 0.49323 22

3.015 0.05029 5 0. 15550 11 0.20579 16 0.49301 21

3.016 0,05024 5 0

15539 11 0 .20563 17 0.49280 22

3.017 0,05019 6 0

15528 12 0. 20546 16 0.49258 22

3.018 0.05013 5 0 . 15516 1

0.20530 16 0.49236 2

• 0 19 0.05008 5 X15505 J ^ \J -f ]_]_ 0-20514 1X 7f 0.49215 22

3.020 0,05003 5 0. 15494 11 0.20497 16 0.49193 22

W . U ^ 7 7 O

c;J nu • X H O ^ X X A p A A.ft 1 1 Ai 0 A 4Q 1 7

U • H ^ X / X 9 1 A X n ? 7 n n6.Q03 -J Au •

1 t: A 7 o

X X A ? A ^.A 1 A A Zl Q 1 R A 9 9 A £. a:5 . nu ^? ^^ nW n^QS ft , U ^ 7 o o 0 - X H O X

1 1 X X A ?AZi.4Q 1 7 A 4Q 1 9 A A9 A9

'^-.0 74 n . 04983 J 0 * 1 45 0 X c U • U " -> fc. 1X Ao 0*491 OA A X 3.025 0,04978 5 0. 15438 11 0.20416 16 0.49085 22

.026 0 ,04973 15427 1

0.2 0400 16 0.49063 22

3.027 0 . 04967 5 0 • 15416 1

0.20384 17 0,4904

21

J . V O 0 . 04962 5 15405 1

0 . 20367 16 0.49020 22

0-0495 7 5 0 A 15 394 \ 1 0*20351 16 0.48998 ^J 9 ' y^ y y V 22

3.030 0.04952 5 0. 15383 11 0.20335 16 0.48976 21

J> • U J X 0 m. 15 37? 1 1 X X nU .. ?oU 3-> 1X Q7 X V n.4ft955 7?

-J . u t. 0 , 04942 5 \j • 15361 1

0. 20303 16 0.48933 21

3.033 0 ,04937 5 0 . 15350 10 .20287 17 0,489 1

22

3.034 0,04932 5 0 * 15339 11 0.20270 16 0,48890 22

3.035 0,04927 5 0. 15328 12 0.20254 16 0.48868 21

3 . 036 0,04922 5 0 . 15316 11 0. 20238 16 0.48847 22

3.037 0,04917 5 0 . 15305 1

0.20222 16 0.48825 21

•3 . n 3 fi _J . U -J o 0 • n4Q 1

0 . 1 5 ? '94 X 7 ^ 10 . ? 0? 06 16 0.48804 22

ri Q J . U 5 7 U , U H 7 U 1 c;-J u .

1 5 ? ft 3 1 1 X X U . U J- 7 U X w 22

3.040 0,04902 5 0. 11 0.20174 16 0.48760 21

n n Zl Q 7 U • U ^ O 7 / C U •

1 *^ 9 A 1 i D ^ O 1 X X A 9 A T ^ ft U • ^ U X -J O X o n . 4ft 7 3 9 7 7

O A / 3 • 04^ rs A / Q Q O U » U4 o 7 A 1 '5 C, A i ^ !!? u X 1 A 0 A T A U • U i4<l 1 Ai O r\ ^ ft 7 1 7 ^ X 3 • U4j> n n A Q ft 7 c A 1 £^ 9 "a Q i !> t :> 7 X X A 9 A T 9 A X O f\ 4ftA9 A U . ^ O O 7 O 7 7 0 04 A ft ? J nu -• X. ^ C. C.O 1 1 X X A 9 A 1 1 A X o 0 . 48674 21

^ • u *+ 0 * 04R7

c; 0 * T S ? 1 7 1

0-2 0094 16X yJ 0.4865 3 22

3.046 0,04872 5 0. 15206 11 0.20078 16 0.48631 22

3.047 0,04867 5 0. 15195 11 0.20062 16 0.48609 21

3.048 0,04862 5 0. 15184 10 0.20046 16 0.48588 22

3.049 0,04857 5 0. 15174 11 0.20030 16 0.48566 21

3.050 0,04852 0. 15163 0.20014 0.48545

90
Table 1 Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

X -(Fo-Eo)/RT A (h°-e°)/rt A s°/R A C°/R

P

A

3 .050 0,04852 5 0, 15163 11 0. 20014 16 0,48545 22

3 .051 0.04847 5 0,15152 11 0, 19998 16 0,48523 21

3 • 052 0,04842 5 0,15141 11 0, 19982 15 0,48502 22

3 .053 0.04837 5 0,15130 11 0, 19967 16 0,48480 21

3 .054 0 .04832 5 0, 15119 11 0, 19951 16 0,48459 22

3 • 055 0.04827 5 0,15108 n\j ., 19935 16 0,48437 21

3 • 056 0.04822 5 0,15097 11 u , A 7 7 X ? 16 0,48416 22

3 .057 0.04817 5 0, 15086 11 ft > X 7 7 y J 16 0,48394 21

3 .058 0.04812 5 0,15075 11 0, 19887 15 0.48373 22

3 .059 0,04807 5 0,15064 11 0, 19872 16 0.4835 1 21

3 .060 0,04802 5 0,15053 10 u • X 7 o ^ o 16 0.48330 22

3 .061 0,04797 5 0,15043 11 n - \j •

1 9fi4ft 16 0.48308 21

3 ,062 0,04792 4 0. 15032 1

u • i 7 O t *T 16 0.48287 22

3 .063 0,04788 5 0,15021 1

0, 19808 15 0.48265 21

3 .064 0,04783 5 0,15010 11 0, 19793 16 0,48244 22

3 .065 0,04778 5 0,14999 ft

19777 16 0,48222 21

3 .066 0,04773 5 0,14988 10 ft

19761 16 0,48201 22

3 .067 0,04768 5 0, 14978 11 ft

19745 15 0,48179 21

3 .068 0,04763 5 0,14967 1

0, 19730 16 0,48158 22

3 ,069 0,04758 5 0,14956 11 0, 19714 16 '0',48136 21

3 .070 0,04753 5 0,14945 19698 15 0,48115 22

3 ,071 0,04748 4 0,14934 11 0 « 19683 16 0,48093 21

3 ,072 0,04744 5 0,14923 10 0 , 19667 16 0,48072 21

3 ,073 0,04739 5 0, 14913 11 0, 19651 15 0,4805 1 22

3 ,074 0,04734 5 0, 14902 11 0, 19636 16 0,48029 21

3 ,075 0,04729 5 0, 14891 0 , 19620 15 0.48008 22

3 ,076 0,04724 5 0,14880 10 0, 19605 16 0.47986 21

3 ,077 0,04719 4 0,14870 11 [9589 16 0.47965 22

3 ,078 0,04715 5 0, 14859 11 0, 19573 15 0.47943 21

3 ,079 0,04710 5 0, 14848 11 0, 19558 16 0.47922 21

3 .080 0,04705 5 0.14837 10 0, 19542 15 0.47901 22

3 ,081 0,04700 5 0,14827 11 0, 19527 16 0,47879 21

3 ,082 0,04695 5 0,14816 11 0, 19511 15 0,47858 22

3 ,083 0 ,04690 4 0 • 14805 11 0, 19496 16 0,47836 2

3 ,084 0 ,04686 5 0 , 14794 10 0, 19480 13 0,47815 2

3 ,085 0 , 0468

5 0,1478 4 0, 19465 16 0,47794 22

3 .086 0,04676 5 0,14773 11 0. L9449 15 0,47772 21

3.,087 0,04671 4 0,14762 10 w • [9434 16 0,47751 22

3 ,088 0,04667 5 0,14752 11 0, 19418 15 0,47729 21

3 ,089 0,04662 5 0,14741 11 0, 19403 16 0,47708 21

3 ,090 0,04657 5 0,14730 10 ft » 1 9'?fl7 15 0,47687 22

3 .091 0,04652 5 0.14720 11 19372 16 0,47665 21

3 ,092 0,04647 4 0 . 14709 11 L9356 15 0,47644 21

3 ,093 0,04643 5 0. 14698 .10 0. L9341 15 0,47623 22

3 .094 0,04638 5 0 . 14688 11 0, 19326 16 0,4760 1 21

3 .095 0,04633 5 0.14677 11 0, 19310 15 0,47580 21

3 ,096 0,04628 4 0.14666 0, 19295 15 0,47559 22

3 .097 0,04624 5 0.14656 0, 19280 16 0,47537 21

3 ,098 0,04619 5 0. 14645 0, 19264 15 0,47516 21

3 .099 0,04614 4 0.14635 0, 19249 15 0.47495 22

3 .100 0,04610 0.14624 0, 19234 0,47473

91
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

T A LiA Aa noC^R/"D Aa

3.100 0,04610 5 0.14624 11 0.19234 16 0.47473 21

3.101 0.04605 5 0. 14613 10 0.19218 15 0.47452 21

3.102 0.04600 5 0. 14603 11 0.19203 15 0.47431 22

3.103 0.04595 4 0. 14592 10 0. 19188 16 0.47409 21

3.104 0.04591 5 0.14582 11 0. 19172 15 0.47388 21

3.105 0.04586 5 0.14571 10 0.19157 15 0.47367 22

3.106 0.04581 4 0.14561 11 0.19142 15 0.47345 21

3.107 0.04577 5 0.14550 10 0.19127 16 0.47324 21

3.108 0.04572 5 0. 14540 11 0.19111 15 0.47303 22

3.109 0.04567 4 0.14529 11 0.19096 15 0.47281 21

3.110 0.04563 5 0.14518 10 0. 19081 15 0.47260 21

3.111 0,04558 5 0.14508 11 0. 19066 15 0.47239 21

3.112 0.04553 4 0.14497 10 0. 19051 15 0.47218 22

3.113 0.04549 5 0.14487 11 0 .19036 16 0.47196 21

3.114 0.04544 5 0.14476 10 0. 19020 15 0.47175 21

3.115 0.04539 4 0. 14466 11 0.19005 15 0.47154 21

3. 116 0.04535 5 0. 14455 10 0 .18990 15 0.47133 22

3. 117 0.04530 5 0.14445 11 0.18975 15 0.47111 21

3.118 0.04525 4 0. 14434 10 0. 18960 15 0.47090 21

3.119 0.04521 5 0. 14424 11 0.18945 15 0.47069 21

3.120 0.04516 4 0.14413 10 0. 18930 15 0.47048 22

3.121 0.04512 5 0. 14403 10 0. 18915 15 0.47026 21

3.122 0.04507 5 0. 14393 11 0.18900 16 0.47005 21

3.123 0.04502 4 0. 14382 10 0. 18884 15 0.46984 21

3.124 0.04498 5 0 . 14372 11 0.18869 15 0.46963 22

3.125 0.04493 4 0. 14361 10 0.18854 15 0.46941 21

3.126 0.04489 5 0.14351 11 0.18839 15 0.46920 21

3.127 0,04484 5 0 . 14340 10 0. 18824 15 0.46899 21

3.128 0.04479 4 0,14330 10 0. 18809 15 0.46878 21

3.129 0.04475 5 0.14320 11 0. 18794 15 0.46857 22

3.130 0.04470 4 0. 14309 10 0.18779 14 0.46835 21

3.131 0.04466 5 0.14299 11 0.18765 15 0.468 14 21

3.132 0.04461 4 0.14288 10 0.18750 15 0.46793 21

3.133 0.04457 5 0. 14278 10 0.18735 15 0.46772 21

3.134 0.04452 5 0.14268 11 0.18720 15 0.46751 21

3.135 0,04447 4 0.14257 10 0. 18705 15 0.46730 22

3.136 0.04443 5 0.14247 10 0. 18690 15 0.46708 21

3.137 0.04438 4 0.14237 11 0.18675 15 0.46687 21

3.138 0 .04434 5 0.14226 10 0.18660 15 0.46666 21

3.139 0.04429 4 0.14216 10 0.18645 15 0.46645 21

3. 140 0.04425 5 0. 14206 11 0.18630 14 0.46624 21

3.141 0.04420 4 0. 14195 10 0.18616 15 0.46603 22

3.142 0.04416 5 0.14185 10 0. 18601 15 0.46581 21

3.143 0.04411 4 0.14175 11 0.18566 15 0.46560 21

3. 144 0.04407 5 0.14164 10 0.18571 15 0.46539 21

3.145 0.04402 4 0. 14154 10 0.18556 14 0.46518 21

3.146 0.04398 5 0.14144 10 0.18542 15 0.46497 21

3.147 0.04393 4 0. 14134 11 0.18527 15 0.46476 21

3.148 0.04389 5 0.14123 10 0.18512 15 0.46455 21

3.149 0,04384 4 0. 14113 10 0. 18497 15 0.46434 21

3.150 0.04380 0.14103 0. 18482 0.46413

92
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z -(f°-e°)/rt

u A (h°-e°)/rt

u A s°/r h G°/R

P

A

3.150 0.04380 5 0.14103 1

18482 14 0.46413 22

3.151 0.04375 4 0.14092 10 0\J .. 18468 15 0.46391 21

3.152 0.04371 5 0.14082 10 1 8453 15 0.46370 21

3.153 0.04366 4 0.14072 10 0. 18438 14 0.46349 21

3.154 0.04362 5 0.14062 10 0. 18424 15 0.46328 21

3. 155 0 .04357 4 0. 14052 11 18409 15 0.46307 21

3. 156 0.04353 4 0.14041 10 n - A O -J 7 *T 14 0.46286 21

3.157 0.04349 5 0. 14031 10 1 ft 3R n 15 0.46265 21

3.158 0,04344 4 0.14021 10 0. 18365 15 0.46244 21

3.159 0.04340 5 0.14011 10 0. 18350 14 0.46223 21

3.160 0,04335 4 0. 14001 11 18336 15 0.46202 21

3.161 0.04331 5 0.13990 10 0 . 18321 15 0.46181 21

3.162 0.04326 4 0.13980 10 18 306 14 0.46160 21

3.163 0,04322 4 0.13970 10 0. 18292 15 0.46139 21

3.164 0 .04318 5 0. 13960 10 0. 18277 14 0.46118 21

3.165 0.04313 4 0.13950 11 u • 15 0.46097 21

3. 166 0.04309 5 0.13939 10 u • X o ^ H o 14 0.46076 21

3.167 0,04304 4 0.13929 10 ± O C J ^ 15 0.46055 22

3.168 0.04300 4 0.13919 10 0. 18219 14 0.46033 21

3.169 0,04296 5 0. 13909 10 0. 18205 15 0.46012 21

3.170 0.04291 4 0.13899 10 18190 14 0.45991 21

3.171 0.04287 5 0.13889 10 1 8176 15 0.45970 21

3 .172 0 .04282 4 0.13879 10 0 . 18161 14 0.45949 21

3. 173 0.04278 4 0.13869 10 0. 18147 15 0.45928 21

3.174 0.04274 5 0 .13859 11 0. 18132 14 0.45907 21

3. 175 0.04269 4 0 . 13848 10 0 . 18118 15 0.45886 20

3.176 0.04265 4 0.13838 10 0. 18103 14 0.45866 21

3.177 0,04261 5 0.13828 10 0 . 18089 15 0.45845 21

3.178 0,04256 4 0.13818 10 0. 18074 14 0.45824 21

3.179 0 .04252 4 0. 13808 10 0. 18060 14 0.45803 21

3.180 0,04248 5 0 . 13798 10 0. 18046 15 0.45782 21

3.181 0.04243 4 0. 13788 10 0. 18031 14 0.45761 21

3. 182 0 ,04239 4 0.13778 10 0 . 18017 15 0.45740 21

3. 183 0,04235 5 0 . 13768 10 0. 18002 14 0.45719 21

3. 184 0 ,04230 4 0. 13758 10 0. 17988 14 0.45698 21

3 . 185 0,04226 4 0 . 13748 10 0\J .• 17974 15 0.45677 21

3.186 0,04222 5 0.13738 10 u .

1L 7QI 7 SJ Qy 14 0.45656 21

3. 187 0,04217 4 0.13728 10 u

1 1 y^O 14 0.45635 21

3.188 0,04213 4 0, 13718 10 0. 17931 15 0.45614 21

3. 189 0,04209 5 0. 13708 10 0. 17916 14 0.45593 21

3.190 0,04204 4 0.13698 10 nu •

1 7Q A 9 14 0.45572 21

3.191 0.04200 4 0.13688 10 u •

1 7 Q Q O i. f o o o 14 0.4555 1 21

3.192 0.04196 5 0. 13678 10 n

U • 1707/, 15 0.45530 20

3. 193 0.04191 4 0. 13668 10 U •

1 7 Q c; Q 14 0.455 10 21

3. 194 0.04187 4 0.13658 10 0. 17845 14 0.45489 21

3.195 0.04133 4 0. 13648 10 0. 17831 14 0.45468 21

3.196 0.04179 5 0.13638 10 0. 17817 15 0.45447 21

3.197 0.04174 4 0.13628 10 0. 17802 14 0.45426 21

3.198 0.04170 4 0. 13618 10 0. 17788 14 0.45405 21

3. 199 0,04166 4 0. 13608 10 0. nii^ 14 0.45384 21

3.200 0,04162 0. 13598 0. 17760 0.45363

93
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z -(F°-Eg)/RT ^ Tin "Cn \ /"D rn (,H°-Egj/RT AA

on /d bV K

A

3.200 0.04162 5 0. 13598 10 0.17760 14 0.45363 21

3.201 0.04157 4 0. 13588 10 0. 17746 15 0.45342 20

3.202 0.04153 4 0.13578 10 0.17731 14 0.45322

3 . 203 0 ,04149 0 . 13568 9 0.17717 14 U • ^ J. 3.204 0.04145 5 0.13559 10 0.17703 14 0.45280 21

3.205 0.04140 4 0.13549 10 0.17689 14 0.45259 21

3.206 0,04136 4 0.13539 10 0, 17675 14 0.45238 21

3.207 0.04132 4 0. 13529 10 0.17661 14 0.45217 20

3.208 0,04128 4 0.13519 10 0.17647 14 0.45197 21

3.209 0 ,04124 5 0.13509 10 0.17633 14 0.45176 21

3.210 0,04119 4 0.13499 10 0.17619 14 0.45155 21

3.211 0,04115 4 0.13489 9 0.17605 15 0.45134 21

3.212 0,04111 4 0.13480 10 0. 17590 14 0.45113 21

3.213 0.04107 4 0.13470 10 0.17576 14 0.45092 20

3.214 0,04103 5 0 .13460 10 0. 17562 14 0.45072 21

3.215 0,04098 4 0. 13450 10 0.17548 14 0.45051 21

3.216 0,04094 4 0. 13440 10 0. 17534 14 0.45030 21

3.217 0,04090 4 0. 13430 9 0.17520 14 0.45009 20

3.218 0,04086 4 0.13421 10 0.17506 14 0.44989 21

3.219 0,04082 4 0,13411 10 0.17492 14 0.44968 21

3.220 0,04078 5 0.13401 10 0.17478 13 0.44947 21

3.221 0,04073 4 0.13391 10 0.17465 14 0.44926 21

3.222 0 ,04069 4 0.13381 9 0.17451 14 0.44905 20

3 . 223 0,04065 4 0 .13372 10 0. 17437 14 0.44885 21

3. 224 0,04061 4 0.13362 10 0 . 1 7423 14 0.44864 21

3.225 0.04057 4 0.13352 10 0.17409 14 0.44843 21

3.226 0 ,0405 3 5 0 . 13342 9 0.17395 14 0.44822 20

3.227 0.04048 4 0.13333 10 0.17381 14 0.44802 21

3.228 0,04044 4 0.13323 10 0. 17367 14 0.44781 21

3.229 0,04040 4 0.13313 10 0.17353 14 0.44760 21

3.230 0,04036 4 0.13303 9 0. 17339 13 0.44739 20

3.231 0,04032 4 0.13294 10 0.17326 14 0.44719 21

3.232 0,04028 4 0.13284 10 0.17312 14 0.44698 21

3.233 0,04024 4 0.13274 10 0.17298 14 0.44677 20

3.234 0,04020 4 0.13264 9 0.17284 14 0.44657 21

3.235 0,04016 5 0.13255 10 0.17270 13 0.44636 21

3.236 0,04011 4 0,13245 10 0.17257 14 0.44615 20

3.237 0,04007 4 0.13235 9 0.17243 14 0.44595 21

3.238 0 ,04003 4 0.13226 10 0. 17229 14 0.44574 21

3.239 0,03999 4 0.13216 10 0.17215 14 0.44553 20

3.240 0,03995 4 0.13206 9 0.17201 13 0.44533 21

3.241 0,03991 4 0.13197 10 0. 17188 14 0.44512 21

3 . 242 0,03987 4 0.13187 10 0. 17174 14 0,44491 20

3 .243 0,03983 4 0.13177 9 0.17160 13 0,44471 21

3 .244 0,03979 4 0.13168 10 0. 17147 14 0.44450 21

3. 245 0,03975 4 0.13158 10 0.17133 14 0.44429 20

3.246 0,03971 4 0. 13148 9 0. 17119 13 0.44409 21

3.247 0,03967 4 0.13139 10 0.17106 14 0.44388 21

3.248 0,03963 4 0. 13129 9 0.17092 14 0.44367 20

3.249 0,03959 4 0.13120 10 0. 17078 13 0.44347 21

3.250 0.03955 0.13110 0.17065 0.44326

94
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z -(f°-e°)/rt

u A (HO-Eo)/RTU

A So/R A cVr

p

A

3 • 250 0.03955 4 0.13110 10 0. 17065 14 0. 44326 2 1

3.251 0.03951 4 0. 13100 9 0. 17051 14 0.44305 20

3 • 252 0 • O^VhT /. 0.13091 10 0. 17037 13 0 . 4h iio b 2 1 3.253 0 .03943 5 0.13081 9 0. 17024 14 0.44264 20

3.254 0.03938 4 0.13072 10 0. 17010 14 0.44244 2

3.255 0 .03934 4 0.13062 10 0. 16996 13 0.44223 2

3.256 0.03930 4 0. 13052 9 0. 16983 14 0.44202 20

3 . 2p7 A 1 O A /• "2 1 A 10 0. 16969 1

A A /. 1 Q 0 0 • H-H 1 O ^ ^: 1 3 . 258 /, A 1 Q A O Q 0 • 13 03 :5 0. 16956 IH 0 • H-H- 161 20

3 . 259 0.03918 4 0 . 13024 10 0. 16942 1

0.44142 1 3. 260 0.03914 4 0.13014 9 0. 16929 14 0.44120 2

3.261 0.03910 4 0.13005 10 0. 16915 13 0.44099 20

3.262 0.03906 3 0.12995 9 0. 16902 14 0. 44079 2 1 3 . 263 0 .03903 4 0.12986 10 0. 16888 13 0.44058 20

3.264 0.03899 4 0.12976 9 0. 16875 14 0.44038 2 1 3.265 A A O O A C 0 .03895 4 0.12967 10 0. 16861 13 0.44017 20

3.266 0.03891 4 0.12957 9 0. 16848 14 0.43997 21

A A "3 Q Q "7 0 • icy^o 1 A 0. 16834 13 A Q 7 £. 20

A 1 "? Q "5 Q A 0. 16821 l*f A A "3 Q /I <: 1 A A "3 Q 7 Q A A 1 O Q O Q 1 A 1

0. 16607 1

0 • ^ 3 V 3 P 20

A A "5 D 7 K A A 1 Q 1 O 0 • 1 V i 7 A 0. 16794 IH A A Q 1 c; 0 • *+ 3 V 1 D ^ 1

3.271 0.03871 4 0.12910 10 0. 16780 13 0.43894 21

o O "7 O 3.272 0.12900 0. 16767 13 /s /, O O "7 -3 0 « H- 3 o f 3 20

3.273 0 .03863 4 0.12891 10 0. 16754 0 • ^38 5 3 2

3 . 274 0.03859 4 0.12881 9 0. 16740 13 0.43832 20

3.275 0,03855 4 0,12872 10 0. 16727 14 0.43812 2 1

3.276 0.03851 4 0.12862 9 0. 16713 13 0.43791 20

3.277 0 .03847 4 0,12853 10 0. 16700 13 /«. /, O T "7 1 0.4377

2

3.278 0 . 120^3 V 0. 16687 14 r^ A Q "7 C 20

3.279 0 . 038 j9 T O O "3 A 0 . 12o3M- Q 0. 16673 13 A /i Q "7 O A

0 . 3 / 3 0 20

3.280 r\ o o Q c 0 . 0 383 13 3 1

0. 16660 1 3

/\ /i O "7 1 0.43/10 2 1

3.281 0.03832 4 0.12815 9 0. 16647 14 0.43689 20

3.282 0.03828 4 0.12806 10 0. 16633 1

0.43669 2 1 A A Q O "5 /. /. A 1 O "7 O A Q 0. 16620 1

0 . 4 3of20

3 . 284 0 . 038^0 0.12/87 y 0. 16607 13 0 . 4 36 2 o Z 1 3.285 0,03816 /"I T 1 "7 "7 O 0.12 / 78 10 0. 16594 14 0.'*-3d0 7 20

3.286 0,03812 4 0. 12768 9 0. 16580 13 0.43587 21

3 . 287 0.03808 4 0.12759 9 0. 16567 13 0.43566 20

3 . 288 0 ,03804 4 0,12750 10 0. 16554 13 0.43546 2 1 3.289 0 ,03800 3 0 . 12740 9 0. 16541 14 0.43525 20

3 . 290 0 ,03797 4 0,12731 10 0 • 16527 13 0.43505 20

3.291 0.03793 4 0,12721 9 0 , 16514 13 0.43485 21

3.292 0,03789 4 0 , 12712 9 0 , 16501 13 0.43464 20

3.293 0.03785 4 0 . 12703 10 0 . 16488 13 0.43444 21

3 .294 0.03781 4 0,12693 9 0. 16475 14 0.43423 20

3.295 0,03777 4 0.12684 9 0. 16461 13 0.43403 20

3.296 0.03773 3 0.12675 10 0. 16448 13 0.43383 21

3.297 0.03770 4 0,12665 9 0. 16435 13 0.43362 20

3.298 0.03766 4 0,12656 9 0. 16422 13 0.43342 21

3.299 0.03762 4 0.12647 9 0. 16409 13 0.43321 20

3.300 0.03758 0.12638 0. 16396 0.4330 1

95
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

X -(f°-e°)/rt A (h°-e°)/rt A s°/R A c°/r

P

A

3.300 0,03758 4 0.12638 10 0.16396 14 0.43301 20

3.301 0.03754 4 0.12628 9 0.16382 13 0.43281 21

3.302 0.03750 3 0.12619 9 0.16369 13 0.43260 20

3.303 0.03747 4 0.12610 10 0. 16356 13 0.43240 20

3.30^ 0.03743 4 0.12600 9 0. 16343 13 0.43220 21

3.305 0.03739 4 0. 12591 9 0. 16330 13 0.43199 20

3.306 0.03735 4 0.12582 9 0.16317 13 0.43179 20

3.307 0 .03731 3 0. 12573 10 0.16304 13 0.43159 21

3.308 0.03728 4 0.12563 9 0. 16291 13 0.43138 20

3.309 0.03724 4 0.12554 9 0. 16278 13 0.43118 20

3.310 0.03720 4 0. 12545 9 0.16265 13 0.43098 21

3.311 0.03716 4 0.12536 10 0.16252 13 0.43077 20

3.312 0.03712 3 0.12526 9 0.16239 13 0.43057 20

3.313 0.03709 4 0.12517 9 0.16226 13 0.43037 21

3.314 0.03705 4 0. 12508 9 0.16213 13 0.^3016 20

3.315 0.03701 4 0. 12499 9 0. 16200 13 0.42996 20

3.316 0.03697 3 0.12490 10 0.16187 13 0.42976 21

3.317 0.03694 4 0.12480 9 0.16174 13 0.42955 20

3.318 0,03690 4 0.12471 9 0. 16161 13 0.42935 20

3.319 0.03686 4 0.12462 9 0. 16148 13 0.42915 20

3.320 0,03682 3 0 . 12453 9 0.16135 13 0.42895 21

3.321 0,03679 4 0.12444 9 0.16122 13 0.42874 20

3.322 0,03675 4 0. 12435 10 0.16109 13 0.42854 20

3.323 0,03671 4 0.12425 9 0. 16096 12 0.42834 20

3.324 0,03667 3 0.12416 9 0.16084 13 0.42814 21

3.325 0.03664 4 0.12407 9 0. 16071 13 0.42793 20

3.326 0.03660 4 0. 12398 9 0.16058 13 0.42773 20

3.327 0.03656 4 0.12389 9 0.16045 13 0.42753 20

3.328 0.03652 3 0.12380 9 0. 16032 13 0.42733 21

3.329 0.03649 4 0. 12371 9 0.16019 13 0.42712 20

3.330 0 ,03645 4 0.12362 10 0.16006 12 0.42692 20

3.331 0,03641 3 0.12352 9 0.15994 13 0.42672 20

3.332 0,03638 4 0.12343 9 0.15981 13 0.42652 21

3.333 0,03634 4 0.12334 9 0.15968 13 0.42631 20

3.334 0,03630 4 0.12325 9 0.15955 12 0.42611 20

3.335 0 ,03626 3 0.12316 9 0. 15943 13 0.42591 20

3.336 0,03623 4 0.12307 9 0.15930 13 0.42571 20

3.337 0,03619 4 0.12298 9 0.15917 13 0.42551 21

3.338 0,03615 3 0.12289 9 0. 15904 12 0.42530 20

3.339 0,03612 4 0. 12280 9 0.15892 13 0.42510 20

3.340 0,03608 4 0.12271 9 0.15879 13 0.42490 20

3.341 0,03604 3 0.12262 9 0. 15866 13 0.42470 20

3.342 0,03601 4 0.12253 9 0.15853 12 0.42450 20

3.343 0,03597 4 0.12244 9 0.15841 13 0.42430 20

3.344 0,03593 3 0. 12235 9 0.15828 13 0.42410 21

3.345 0 .03590 4 0.12226 9 0. 15815 12 0.42389 20

3 .346 0.03586 4 0.12217 9 0. 15803 13 0.42369 20

3.347 0.03582 3 0.12208 9 0.15790 13 0.42349 20

3.348 0.03579 4 0. 12199 9 0.15777 12 0.42329 20

3. 349 0.03575 4 0.12190 9 0.15765 13 0.42309 20

3.350 0.03571 0. 12181 0.15752 0.42289

96
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z -(f°-e°)/rt

u A (h°-e°)/rt

(J A A A

3.350 0,03571 3 0.12181 9 1 575? 13 .47289 20

3.351 0.03568 4 0. 12172 9 15739 12 n .42269 21

3.352 0,03564 3 0.12163 9 15727 13 0 ,42248 20

3.353 0.03561 4 0.12154 9 0. 15714 12 0 .42228 20

3.35^ 0.03557 4 0.12145 9 0. 15702 13 0 .42208 20

3.355 0.03553 3 0.12136 9 1 5689 13 0\J .42188 20

3.356 0.03550 4 0.12127 9 1 5676 12 .42168 20

3.357 0.03546 4 0.12118 9 0 • 1 56b'* 13 0 .42148 20

3.358 0 .03542 3 0. 12109 9 0. 15651 12 0 .42128 20

3.359 0.03539 4 0.12100 9 0. 15639 13 0 ,42108 20

3.360 0.03535 3 0. 12091 9 1 5626 12 ,42088 20

3.361 0.03532 4 0.12082 9 0 . 15614 13 0 ,42068 20

3.362 0.03528 3 0 .12073 9 0 . 15601 12 0 ,42048 20

3.363 0.03525 4 0 . 12064 9 0. 15589 13 0 .42028 20

3.364 0.03521 4 0.12055 9 0. 15576 12 0 ,42008 20

3.365 0.03517 3 0.12046 8 15564 13 n .41988 20

3.366 0.03514 4 0.12038 9 15551 12 0v ,41968 21

3.367 0,03510 3 0. 12029 9 15539 A ^ 7 13 n ,41947 20

3,368 0,03507 4 0. 12020 9 0. 15526 12 0 .41927 20

3.369 0.03503 4 0. 12011 9 0. 15514 12 0 ,41907 20

3.370 0 .03499 3 0. 12002 9 0 . 15502 13 0 ,41887 20

3.371 0.03496 4 0.11993 9 0\J A• 1 5489 12 n ,41867 20

3.372 0.03492 3 0.11984 9 15477 13 n ,41847 20

3.373 0.03489 4 0. 11975 8 0. 15464 12 0 ,41827 20

3.374 0.03485 3 0.11967 9 0. 15452 12 0 .41807 20

3.375 0 .03482 4 0. 11958 9 1 5440 13 0 .41787 20

3.376 0.03478 3 0.11949 9 0. 15427 12 0 .41767 20

3.377 0.03475 4 0.11940 9 0. 15415 13 0 ,41747 20

3.378 0.03471 3 0.11931 9 0. 15402 12 0 ,41727 19

3.379 0.03468 4 0 . 11922 8 0. 15390 12 0 .41708 20

3.380 0.03464 3 0.11914 9 0. 15378 13 0 ,41688 20

3.381 0.03461 4 0.11905 9 0. 15365 12 0 ,41668 20

3.382 0 .0345 7 4 0 . 1 1896 9 0. 15353 12 0 ,41648 20

3.383 0.03453 3 0.11887 9 0. 15341 13 0 ,41628 20

3.384 0 .03450 4 0.11878 8 0. 15328 12 0 .41608 20

3.385 0.03446 3 0.11870 9 0 . 15316 12 0 .41588 20

3.386 0.03443 4 0.11861 9 u . X ^ J \J ^ 12 r\u • ^ i. ^ o o 20

3.387 0.03439 3 0.11852 9 U .

1 9 Q 9 13 u 20

3.388 0.03436 4 0.11843 8 0. 15279 12 0 ,41528 20

3.389 0,03432 3 0.11835 9 0. 15267 12 0 .41508 20

3.390 0.03429 3 0.11826 9 V •

1 c: 9 12 A0

A 1 A Q Q

» *+ iHO 0 20

3.391 0.03426 4 0.11817 9 U • J. ^.'^ D 13 n .41 4A ft 20

3.392 0.03422 3 0.11808 8

A

U •

T CL o -3 n X Z> C. J\J 12 U

A 1 A AO t *+ i *r •+ O 19

3. 393 0.03419 4 0.11800 9 u •

1 s ? 1 ft 12 AU .41 4P Q 20

3.394 0.03415 3 0.11791 9 0. 15206 12 0 .41409 20

3.395 0.03412 4 0.11782 9 0. 15194 12 0 ,41389 20

3.396 0.03408 3 0.11773 8 0. 15182 13 0 ,41369 20

3.397 0.03405 4 0.11765 9 0. 15169 12 0 ,41349 20

3.398 0.03401 3 0.11756 9 0. 15157 12 0 .41329 20

3.399 0.03398 4 0.11747 8 0. 15145 12 0 ,41309 20

3.400 0.03394 0.11739 0. 15133 0 .41289

97
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

A til

Aa A s°/r A ro /'R V

A

3.400 0.03394 3 0,11739 9 0.15133 12 0 ,41289 19

3.401 0.03391 4 0,11730 9 0. 15121 12 0 .41270 20

3.402 0.03387 3 0.11721 8 u • 12 0 ,41250 20

3.403 0.03384 3 0.11713 9 0 m [5097 13 0 .41230 20

3.404 0,03381 4 0.11704 9 0 , L 5084 12 0 ,41210 20

3.405 0.03377 3 0.11695 8 0 . L5072 12 0 ,41190 20

3.406 0.03374 4 0.11687 9 0. 15060 12 0 ,41170 19

3.407 0.03370 3 0. 11678 9 0. L 5048 12 0 ,41151 20

3.408 0.03367 4 0. 11669 8 0 . . 5036 12 0 ,41131 20

3.409 0.03363 3 0.11661 9 0. L5024 12 0 .41111 20

3.410 0.03360 3 0.11652 9 0 • 15012 12 0 ,41091 20

3.411 0.03357 4 0. 11643 8 0. L5000 12 0 .41071 19

3.412 0.03353 3 0.11635 9 0. 14988 12 0 ,41052 20

3.413 0.03350 4 0. 11626 8 0. 14976 12 0 ,41032 20

3.414 0.03346 3 0.11618 9 0 • 14964 12 0 ,41012 20

3.415 0.03343 4 0.11609 9 0. 14952 12 0 ,40992 20

3.416 0.03339 3 0.11600 8 0. 14940 12 0 ,40972 19

3.417 0.03336 3 0. 11592 9 0. 14928 12 0 ,40953 20

3.418 0.03333 4 0.11583 8 0 . L4916 12 0 ,40933 20

3.419 0.03329 3 0.11575 9 0 . L4904 12 0 ,40913 20

3.420 0.03326 3 0.11566 9 0 . L4892 12 0 ,40893 19

3.421 0.03323 4 0.11557 8 0* 14880 12 0 ,40874 20

3.422 0.03319 3 0.11549 9 0 . 14868 12 0 ,40854 20

3.423 0.03316 4 0.11540 8 0 . L4856 12 0 ,40834 19

3.424 0,03312 3 0.11532 9 0

L4844 12 0 ,40815 20

3.425 0.03309 3 0.11523 8 0 . 1 4832 12 0 ,40795 20

3.426 0,03306 4 0.11515 9 0. 14820 12 0 ,40775 20

3.427 0,03302 3 0.11506 8 0. L4808 11 0 ,40755 19

3.428 0,03299 3 0.11498 9 0. L4797 12 0 ,40736 20

3.429 0,03296 4 0.11489 8 0. L4785 12 0 ,40716 20

3.430 0,03292 3 0.11481 9 0* L4773 12 0 ,40696 19

3.431 0.03289 3 0.11472 8 0. L4761 12 0 ,40677 20

3.432 0,03286 4 0.11464 9 0. L4749 12 0.,40657 20

3.433 0,03282 3 0. 11455 8 0. L4737 12 0 ,40637 19

3.434 0 ,03279 3 0.11447 9 0. L4725 11 0 ,40618 20

3.435 0,03276 4 0.11438 8 0 . L4714 12 0 ,40598 20

3.436 0,03272 3 0.11430 9 0. L4702 12 0 ,40578 19

3.437 0,03269 3 0.11421 8 n

.4690 12 0 ,40559 20

3.438 0.03266 4 0.11413 9 n

u . .4678 12 0 ,40539 20

3.439 0.03262 3 0.11404 8 .4666 11 0 ,40519 19

3.440 0.03259 3 0.11396 9 .4655 12 0..40500 20

3.441 0.03256 4 0.11387 8 0.^L4643 12 0.,40480 20

3.442 0.03252 3 0.11379 9 0.]L4631 12 0.,40460 19

3.443 0.03249 3 0.11370 8 0.]L4619 11 0.,40441 20

3.444 0.03246 4 0. 11362 9 0.]L4608 12 0.,40421 19

3.445 0,03242 3 0.11353 8 0.:L4596 12 0.,40402 20

3.446 0,03239 3 0. 11345 8 0.]L4584 12 0.,40382 20

3.447 0,03236 3 0.11337 9 0.]L4572 11 0. 40362 19

3.448 0,03233 4 0.11328 8 0.]L4561 12 Oi,40343 20

3.449 0,03229 3 0.11320 9 0.:L4549 12 Oi 40323 19

3.450 0 ,03226 0.11311 O.jL4537 0. 40304

98
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z _(Fo_eo)/rt

0

A (h°-eo)/rt

0

A So/R A C^R A

3.450 0 .03226 3 0.11311 8 0. 14537 11 0 »40304 20

3.451 0.03223 4 0.11303 8 0 . 14526 12 0 ,40284 20

3.452 0.03219 3 0. 11295 9 0. 145 14 12 0 •40264 19

3.453 0.03216 3 0.11286 8 0. 14502 11 0 ,40245 20

3.454 0.03213 3 0.11278 9 0. 14491 12 0 ,40225 19

3.455 0,03210 4 0.11269 8 0 . 14479 12 0 ,40206 20

3.456 0,03206 3 0.11261 8 1 4467 11 ,40186 19

3.457 0,03203 3 0.11253 9 0, 14456 12 ,40167 20

3.458 0,03200 3 0.11244 8 0. 14444 11 0 ,40147 19

3.459 0.03197 4 0.11236 8 0. 14433 12 0.,40128 20

3.460 0,03193 3 0.11228 9 0\J .9 14421 12 n\j ,40 10 8 20

3.461 0,03190 3 0.11219 8 \J 9 14409 11 Ci ,40088 19

3.462 0.03187 3 0.11211 8 u X *T J 7 O 12 nv > ^ U w o

~ 20

3.463 0.03184 4 0. 11203 9 0. 14386 11 0.,40049 19

3.464 0.03180 3 0.11194 8 0. 14375 12 0 ,40030 20

3.465 0.03177 3 0.11186 8 X "T J D J 11 nU 4

i, ^ U U X u 19

3.466 0.03174 3 0.11178 9 0 . 14352 12 , 399920

3.467 0,03171 3 0.11169 8 0 . 1 4340 11 0<,39971 19

3.468 0,03168 4 0.11161 8 0. 14329 12 0.,39952 20

3.469 0 .03 164 3 0 .11153 9 0. 14317 11 0.,39932 19

3.470 0.03161 3 0 . 11 144 8 0. 14306 12 0<,39913 19

3.471 0.03158 3 0.11136 8 0. 14294 11 0<,39894 20

3.472 0.03155 3 0,11128 8 0. 14283 12 0<,39874 19

3.473 0.03152 4 0,11120 9 0. 14271 11 0.,39855 20

3.474 0.03148 3 0.11111 8 0. 14260 12 0.,39835 19

3.475 0.03145 3 0.11103 8 0 . 14248 11 0« 39816 20

3.476 0.03142 3 0.11095 9 0. 14237 12 Oi 39796 19

3.477 0.03139 3 0.11086 8 0 . 14225 11 0« 39777 20

3.478 0.03136 4 0.11078 8 0. 14214 12 0. 39757 19

3.479 0.03132 3 0,11070 8 0. 14202 11 0. 39738 19

3.480 0.03129 3 0.11062 8 0. 14191 11 Oi 39719 20

3.481 0.03126 3 0.11054 9 0. 14180 12 Oi 39699 19

3.482 0.03123 3 0. 11045 8 0. 14168 11 0. 39680 20

3.483 0.03120 3 0. 11037 8 0. 14157 12 0. 39660 19

3.484 0.03117 4 0.11029 8 0. 14145 1Oi 39641 19

3.485 0.03113 3 0. 11021 9 0. 14134 1

0« 39622 20

3.486 0,03110 3 0.11012 8 0 . 14123 12 0 • 39602 19

3.487 0,03107 3 0.11004 8 0. 14111 11 0, 39583 20

3.488 0,03104 3 0. 10996 8 0, 14100 11 0. 39563 19

3.489 0,03101 3 0.10988 8 0. 14089 12 0. 39544 19

3.490 0,03098 4 0.10980 8 0 , L4077 11 0« 39525 20

3.491 0,03094 3 0.10972 9 0, 14066 11 Oi 39505 19

3.492 0,03091 3 0.10963 8 0 . 14055 12 Oi 39486 19

3.493 0,03088 3 0 . 10955 8 0 . 14043 11 0

39467 20

3.494 0,03085 3 0. 10947 8 0. 14032 11 Oi 39447 19

3.495 0,03082 3 0.10939 8 0. 14021 12 Oi 39428 19

3.496 0,03079 3 0.10931 8 0. 14009 11 0. 39409 20

3.497 0,03076 3 0.10923 9 0. 13998 11 0. 39389 19

3.498 0,03073 4 0. 10914 8 0. 13987 11 0. 39370 19

3.499 0.03069 3 0.10906 8 0, 13976 12 0. 3935 1 20

3.500 0,03066 0.10898 0. 13964 Oi 39331

99
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

X -(f°-e°)/rt A (h°-e°)/rt A S°/R A A

3.500 0.03066 3 0.10898 8 0.13964 11 0 ,39331 19

3.501 0.03063 3 0. 10890 8 0. 13953 11 0

Q O "3 1 O

» J V J i Z 19

3.502 0.03060 3 0.10882 8 0.13942 11 0 1 3929 3 20

3.503 0.03057 3 0.10874 8 0. 13931 11 0 39273 19

3.504 0.03054 3 0.10866 8 0.13920 12 0.,39254 19

3.505 0.03051 3 0. 10858 8 0.13908 1^ 0< "3 O O "3 K 19

3.506 0.03048 3 0. 10850 9 0.13897 11 0< 20

3.507 0.03045 4 0. 10841 8 0. 13886 11 0<1 J V i V6 19

3.508 0.03041 3 0. 10833 8 0.13875 11 0.,39177 19

3.509 0.03038 3 0.10825 8 0.13864 11 0.,39158 19

3.510 0.03035 3 0. 10817 8 0.13853 12 0 ,39139 20

3.511 0.03032 3 0.10809 8 0.13841 11 0 ,39119 19

3.512 0.03029 3 0. 10801 8 0.13830 11 0 ,39100 19

3.513 0.03026 3 0. 10793 8 0. 13819 11 0<,39081 19

3.514 0.03023 3 0. 10785 8 0.13808 11 0 ,39062 20

3.515 0.03020 3 0, 10777 8 0.13797 11 Oi,39042 19

3.516 0.03017 3 0. 10769 8 0.13786 11 0<,3902 3 19

3.517 0.03014 3 0.10761 8 0.13775 11 0<> 39004 19

3.518 0.03011 3 0.10753 8 0.13764 11 Oi,38985 19

3.519 0.03008 3 0.10745 8 0.13753 12 0.,38966 20

3.520 0.03005 3 0.10737 8 0.13741 11 0< Q Q O /• il 19

3.521 0.03002 3 0.10729 8 0.13730 11 0< 19

3.522 0.02999 4 0. 10721 8 0.13719 11 0

19

3.523 0.02995 3 0. 10713 8 0.13708 11 0.,38889 19

3.524 0.02992 3 0. 10705 8 0.13697 11 04,38870 20

3.525 0.02989 3 0.10697 8 0.13686 U 1

-3 Q Q K A , ^ 0 O ^ U 19

3.526 0.02986 3 0. 10689 8 0.13675 11 1*1 •3 Q Q O 1 19

3.527 0.02983 3 0.10681 8 0.13664 11 u <\ ^ \3 Q 1. C 19

3.528 0.02980 3 0.10673 8 0.13653 11 0.,38793 19

3.529 0.02977 3 0. 10665 8 0.13642 11 0.,38774 19

3.530 0.02974 - 3 0.10657 8 0.13631 1^ Oi "a 0 7 c. e; 19

3.531 0.02971 3 0. 10649 8 0.13620 11 0

•3 Q 7 "3 <i.

, J O lob 20

3.532 0.02968 3 0.10641 8 0.13609 1

0< 19

3.533 0.02965 3 0. 10633 8 0.13598 11 0.,38697 19

3.534 0.02962 3 0.10625 8 0.13587 11 Oi,38678 19

3.535 0.02959 3 0.10617 8 0.13576 10 0 < "5 Q A, Q 19

3.536 0.02956 3 0. 10609 8 0.13566 11 u < J O D U 19

3.537 0.02953 3 0. 10601 8 0.13555 11 u < -3 O O t. X 19

3.538 0.02950 3 0.10593 7 0.13544 11 0.,38602 19

3.539 0.02947 3 0.10586 8 0.13533 11 0. 38583 19

3.540 0.02944 3 0.10578 8 0.13522 Oi k R A J O -> O H- 19

3.541 0.02941 3 0. 10570 8 0.13511 11 Oi H Cv A C

j> 0 p *+ :5 20

3.542 0.02938 3 0.10562 8 0.13500 11 A0

-3 Q t 9 c; 19

3.543 0.02935 3 0. 10554 8 0.13489 11 AU t ^ OZ>\JO 19

3.544 0.02932 3 0.10546 8 0.13478 11 Oi 38487 19

3.545 0.02929 3 0.10538 8 0.13467 10 0. 38468 19

3.546 0.02926 3 0.10530 8 0,13457 0. 38449 19

3.547 0.02923 3 0.10522 7 0.13446 0. 38430 19

3.548 0.02920 3 0. 10515 8 0. 13435 0. 38411 19

3.549 0.02917 2 0. 10507 8 0.13424 0. 38392 19

3.550 0.02915 0. 10499 0. 13413 0. 38373

100
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z -(f°-e°)/rt A (h°-eo)/rt A So/R A C^R A

3.550 0.02915 3 0. 10499 8 0. 13413 10 0 . 38373 19

3.551 0.02912 3 0.10491 8 0. 13403 11 0 ,38354 19

3.552 0.02909 3 0. 10483 8 0, 13392 11 0 ,38335 19

3.553 0.02906 3 0. 10475 8 0. 13381 11 0 .38316 19

3.554 0.02903 3 0. 10467 7 0. 13370 11 0 .38297 19

3.555 0.02900 3 0. 10460 8 0 . 13359 10 0 ,38278 19

3.556 0.02897 3 0.10452 8 0. 13349 11 0 .38259 19

3.557 0 . 02894 3 0. 10444 8 0. 13338 11 0 ,38240 19

3 . 558 0.02891 3 0. 10436 8 0. 13327 11 0 .38221 19

3.559 0,02888 3 0. 10428 7 0. 13316 10 0 ,38202 19

3.560 0.02885 3 0. 10421 8 0. 1 3306 11 0 ,38183 19

3.561 0.02882 3 0.10413 8 0. 13295 11 0 ,38164 19

3.562 0.02879 3 0. 10405 8 0. 13284 10 0 ,38145 19

3.563 0 .02876 3 0.10397 8 0. 13274 11 0 ,38126 19

3.564 0,02873 2 0. 10389 7 0. 13263 11 0 ,38107 19

3.565 0.02871 3 0. 10382 8 0. 13252 11 0 > 38088 19

3.566 0,02868 3 0.10374 8 0. 1 3241 10 0 ,38069 19

3.567 0,02865 3 0.10366 8 0. 13231 11 0 .38050 18

3.568 0,02862 3 0.10358 7 0. 13220 11 0 ,38032 19

3.569 0,02859 3 0.10351 8 0. 13209 10 0 ,38013 19

3.570 0,02856 3 0.10343 8 0. 13199 11 0 ,37994 19

3.571 0,02853 3 0. 10335 8 0 . 13188 10 0 ,37975 19

3.572 0 .02850 3 0.10327 7 0. 1 3178 11 0 1 37956 19

3.573 0.02847 3 0.10320 8 0. 13167 11 0 ,37937 19

3.574 0.02844 2 0. 10312 8 0. 13156 10 0 •37918 19

3.575 0 .02842 3 0.10304 8 0. 13146 11 0 ,37899 19

3.576 0.02839 3 0. 10296 7 0. 13135 10 0 ,37880 19

3.577 0.02836 3 0.10289 8 0. 13125 11 0 ,37861 18

3.578 0.02833 3 0. 10281 8 0. 13114 11 0 ,37843 19

3.579 0.02830 3 0.10273 7 0. 13103 10 0 ,37824 19

3.580 0.02827 3 0. 10266 8 0. 13093 11 0 ,37805 19

3.581 0.02824 3 0.10258 8 0. 13082 10 0 ,37786 19

3.582 0.02821 2 0 . 10250 7 0. 13072 11 0 ,37767 19

3.583 0.02819 3 0. 10243 8 0. 13061 10 0.,37748 18

3.584 0,02816 3 0.10235 8 0. 13051 11 0 , 37730 19

3.585 0,02813 3 0.10227 7 0. 13040 10 0 ,37711 19

3.586 0,02810 3 0. 10220 8 0. 13030 11 0<,37692 19

3.587 0 ,02807 3 0.10212 8 0 . 13019 10 0<, 37673 19

3.588 0,02804 3 0,10204 7 0. 13009 11 0 ,37654 19

3.589 0,02801 2 0.10197 8 0. 12998 10 0 ,37635 18

3.590 0,02799 3 0. 10189 8 0 . 12988 11 0 , 37617 19

3.591 0,02796 3 0.10181 7 0 . 12977 10 0 37598 19

3.592 0,02793 3 0.10174 8 0 . 12967 11 0 ,37579 19

3.593 0,02790 3 0. 10166 8 0. 1 2956 10 0 ,37560 18

3.594 0,02787 3 0.10158 7 0. 12946 11 0 ,37542 19

3.595 0,02784 2 0.10151 8 0. 12935 10 0 ,37523 19

3.596 0,02782 3 0.10143 7 0. 12925 11 0 ,37504 19

3.597 0.02779 3 0.10136 8 0. 12914 10 0 ,37485 19

3.598 0,02776 3 0. 10128 8 0. 12904 10 0 ,37466 18

3.599 0,02773 3 0.10120 7 0. 12894 11 0 ,37448 19

3.600 0.02770 0.10113 0. 12883 0 ,37429

101
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

X _(Fo_3o')/rt A (h°-e°)/rt A S°/R A A

3.600 0.02770 2 0.10113 8 0.12883 10 0 ,37429 19

3.601 0.02768 3 0.10105 7 0.12873 11 0 .37410 18

3.602 0.02765 3 0,10098 8 0.12862 10 0 .37392 19

3.603 0,02762 3 0, 10090 7 0.12852 10 0 .37373 19

3.604 0.02759 3 0. 10083 8 0. 12842 11 0 ,37354 19

3.605 0 .02756 2 0,10075 8 0.12831 10 0 ,37335 18

3.606 0.02754 3 0.10067 7 0.12821 10 0 ,37317 19

3.607 0.02751 3 0. 10060 8 0.12811 11 0 , 37298 19

3.608 0.02748 3 0. 10052 7 0.12800 10 0 ,37279 18

3.609 0.02745 3 0.10045 8 0.12790 10 0 ,37261 19

3.610 0.02742 2 0.10037 7 0.12780 11 0 ,37242 19

3.611 0.02740 3 0.10030 8 0.12769 10 0 . 37223 18

3.612 0.02737 3 0.10022 7 0.12759 10 0 • 3720 5 19

3.613 0.02734 3 0. 10015 8 0.12749 11 0 .37186 19

3.614 0.02731 2 0.10007 7 0.12738 10 0 .37167 18

3.615 0,02729 3 0. 10000 8 0. 12728 10 0 .37149 19

3.616 0,02726 3 0.09992 7 0.12718 10 0 .37130 19

3.617 0.02723 3 0.09985 8 0. 12708 11 0 .37111 18

3.618 0.02720 2 0,09977 7 0. 12697 10 0 .37093 19

3.619 0.02718 3 0.09970 8 0. 12687 10 0 .37074 19

3.620 0.02715 3 0.09962 7 0.12677 10 0 .37055 18

3.621 0.02712 3 0.09955 8 0.12667 11 0 » 37037 19

3.622 0.02709 2 0.09947 7 0.12656 10 0 ,37018 18

3.623 0.02707 3 0.09940 8 0. 12646 10 0 .37000 19

3.624 0.02704 3 0.09932 7 0. 12636 10 0 .36981 19

3.625 0.02701 3 0.09925 8 0.12626 10 c , 3696 2 18

3.626 0 .02698 2 0.09917 7 0.12616 11 0 , 36944 19

3.627 0.02696 3 0.09910 8 0. 12605 10 0 ,36925 18

3.628 0.02693 3 0.09902 7 0.12595 10 0 ,36907 19

3.629 0.02690 3 0.09895 7 0.12585 10 0 ,36888 19

3.630 0.02687 2 0.09888 8 0.12575 10 0 ,3686 9 18

3.631 0.02685 3 0.09880 7 0.12565 10 0 ,36851 19

3.632 0.02682 3 0.09873 8 0.12555 10 0 1 36o ^ 2 18

3.633 0.02679 2 0.09865 7 0.12545 11 0 ,36814 19

3. 634 0.02677 3 0.09858 8 0.12534 10 0 ,36795 18

3.635 0.02674 3 0.09850 7 0. 12524 10 0

C< £. "7 "7 "7 19

3.636 0.02671 3 0.09843 7 0, 12514 10 0

£. ~7 C, Q 18

3.637 0.02668 2 0.09836 8 0. 12504 10 0 » 36740 19

3.638 0,02666 3 0.09828 7 0.12494 10 0 ,36721 18

3.639 0.02663 3 0.09821 8 0.12484 10 0 ,36703 19

3.640 0.02660 2 0.09813 7 0.12474 10 0 1 3668 4 18

3.641 0.02658 3 0.09806 7 0.12464 10 0«»36666 19

3.642 0.02655 3 0.09799 8 0.12454 10 0 1 36647 18

3.643 0.02652 2 0.09791 7 0. 12444 10 0 1 36629 19

3.644 0,02650 3 0,09784 7 0.12434 11 0 ,36610 18

3.645 0.02647 3 0.09777 8 0.12423 10 0.,36592 19

3.646 0.02644 2 0.09769 7 0. 12413 10 0.,36573 18

3.647 0.02642 3 0,09762 7 0,12403 10 Oi,36555 19

3.648 0,02639 3 0.09755 8 C. 12393 10 0. 36536 18

3.649 0,02636 3 0,09747 7 0, 12383 10 0. 36518 19

3.650 0.02633 0,09740 0,12373 0. 36499

102
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z _(Fo_eo)/rT

u A (HO-Eo)/RTu A sVr A Qo/R

P

A

3.650 0.0263 3 2 0. 09740 7 0.12373 10 0. 36499 18

3.651 0.02631 3 0.09733 8 nu •

i ^ ^ Q -7 10 0.36481 19

3.652 0.0262 8 3 0. 09725 7 0. 12353 10 0. 36462 18

3.653 r\ r\ T £ o c 0 . 026^5 2 0.09718 7 0. 12343 10 0 . 36444 18

3.654 0 .02623 3 0.09711 8 0. L2333 10 0. 36426 19

3.655 0 .02620 2 0. 09703 7 0. 12323 9 0. 36407 18

3.656 0.02618 3 0.09696 7

A

u

10 0.36389 19

3.657 0.02615 3 0. 09689 8 0. 12304 10 0. 36370 18

3.658 0.02612 2 0. 0968 1 7 0. 12294 10 0.36352 18

3.659 0.02610 3 0.09674 7 0. L2284 10 0. 36334 19

3.660 0 ,02607 3 0.09667 7 0. 12274 10 0. 36315 18

3.661 0.02604 2 0.09660 8 Au . u ^ ^ 0 *+ 10 0.36297 19

3.662 0 .02602 3 0.09652 7 0. 12254 10 0. 36278 18

3 . 663 0.02599 3 0 . 09645 7 0. 12244 10 0. 36260 18

3 .664 0 .02596 2 0 . 09638 7 0. 12234 10 0. 36242 19

3 . 665 0 .02594 3 0 . 0963

8 0. L2224 10 0. 36223 18

3.666 0.02591 2 0.09623 7 L2214 9 0.36205 18

3.667 0 . 025o9 3 0. 09616 7 0. L2205 10 0 • 36 187 1 A19

3.668 0.02586 3 0. 09609 7 0. L2195 10 0.36168 18

3 . 669 r\ o C O o

<1 0. 09602 00 0. L2185 10 A "2 i. 1 A 0.36150 1 0

3 .670 0 . 0<::5o 1 3 0. 09394 -7

1 0..L2175 10 0. 36132 T AIV

3.671 0.02578 3 0.09587 7 .2165 10 0.36113 18

3.672 0 • 0^ -5 / 5 £. 0.09580 I 0..L2155 1 r\ 10 0 • 360" 1 O io

O £ "7 O 3.673 n r» O K T -2 0 • 0^ 573 3 0.09573 00 0..L2145 V 0. 36077 19

3 .674 iL 0 . 09565 1 0.:L2136 10 0 . 3605 8 18

3.675 r\ ^ o c £ o 0.02 568 3 0.09558 7 0.]L2126 10 0. 36040 18

3.676 0.02565 3 0.09551 7 L ^ X X 0 10 0.36022 19

3.677 0 . 02562 2 0. 09544 7 0.]L2106 10 0. 36003 18

3 .678 0 .02560 3 0. 09537 8 0.]L2096 9 0.35985 18

3.679 0.02557 2 0.09529 7 0.:L2087 10 0.35967 18

3.680 0.02555 3 0. 09522 7 0.]L2077 10 0. 35949 19

3.681 0.02552 3 0.09515 7 L 2067 10 0.35930 18

3.682 0.02549 2 0.09508 7 0. ].2057 9 0.35912 18

o ^ Q O 3 . D 0 J n rt o /i "7 3 A A O A 1

1 0. ]L2048 1 A 10 A ^ 1^ fi 0 A 0 . 5 5 0 T H lo

o ^ o / 3 . dHh u . iff iL A A O /i A A Q 0. ]L2038 1 A1 0 0 . 3 D 0 ( 0

T Q1 y

3 . fclOP 3

A A Q /t Q 0.]i2028 1 A i 0 1

3.686 0,02539 2 0.09479 7

A

U • J 9 0.35839 18

3.687 0,02537 3 0. 09472 7 0,] 2009 10 0.35821 18

3.688 0,02534 3 0.09465 7 0. ]. 1999 10 0.35803 19

3.689 0,02531 2 0.09458 7 0,]L1989 9 0.35784 18

3.690 0,02529 3 0.09451 7 0.]L1980 10 0.35766 18

3.691 0,02526 2 0,09444 8 0.:L 1970 10 0.35748 18

3.692 0 ,02524 3 0,09436 7 0.]L1960 9 0.35730 18

3.693 0,02521 2 0,09429 7 0.]L1951 10 0.35712 19

3 .694 0,02519 3 0, 09422 7 0.]L1941 10 0. 35693 18

3.695 0,02516 2 0.09415 7 0.]L1931 9 0.35675 18

3.696 0,02514 3 0,09408 7 0. ]L1922 10 0,35657 18

3.697 0,02511 2 0.C9401 7 0, ]L1912 10 0.35639 18

3.698 0,02509 3 0.09394 7 0,]L1902 9 0,35621 19

3.699 0 ,02506 3 0.09387 7 0, ]L1893 10 0.35602 18

3.700 0 ,02503 0.09380 0,-L1883 0,35584

103
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z -(f°-eo)/rt

u A (H°-Eo)/RTU

A s°/R A C£/R

P

A

3.700 0.02503 2 0.09380 7 0, 11883 10 0,35584 18

3.701 0.02501 3 0.09373 8 0,11873 9 0.35566 18

3.702 0 .02498 2 0. 09365 7 0, 11864 10 0. 35548 18

3.703 0 .02496 3 0.09358 7 0, 11854 9 0.35530 18

3 • 704 0 .024-9 3 2 0.09351 7 0,1 1845 10 0.35512 18

3.705 A A O /. O 1 U . 02^9 i

•33 0. 09344 7 0.11835 10 0. 35494 19

3.706 0.02488 2 0.09337 7 0.11825 9 0.35475 18

-3 "7 n 7

3 . / U / A A O O Q A 0.09 330 7 0.11816 10 0. 3545 7 18

3 . 708 0 • 0248 3 2 0.09323 7 0, 1 1806 9 0. 35439 18

3 .709 0 .0248

3 0.09316 7 0,1 1797 10 0.35421 18

3.710 0.02478 2 0.09309 7 0,11787 9 0. 3540 3 18

3.711 0.02476 3 0.09302 7 0,11778 10 0.35385 18

3.712 0 .02473 2 0,09295 7 0 , 11768 9 0.35367 18

3.713 r\ A o /. "7 1 5

f\ n o '5 o o "7

1 A 1 T T C O

0 • 1

7p9 10 0. 35349 18

3.714 0 . 02't68 2 0, 0928 1 7

A T T "7 / A 0,1 1749 9 0.35331 18

3.715 0 .02466 3 0, 09274 7 0,1 1740 10 0.35313 18

3.716 0.02463 2 0.09267 7 0.11730 9 0.35295 18

3 • 7 17 A A O / £. T 0 • 0 2M-0 i 5 A A A T i A 0.09260 -7 A 1 T 7 0 T Q % i L i Zl 1 A 10 0.35277 19

3.718 A A O A C O 0 • 0245 8 2 0.0925 3 7 0.11711 9 0. 35258 18

o "7 1 n 3.719 A A O /i K i 0,0 245 6 1 A 1 1 T A T 0.11702 10 0.35 240 18

3.720 0.02453 2 0.09239 7 0.1 1692 9 0.35222 18

3.721 0.02451 3 0.09232 7 0.11683 10 0.35204 18

3.722 0.02448 2 0. 09225 7 0.11673 9 0.35186 18

3.723 0 .02446 3 0.09218 7 0.11664 10 0.35168 18

3.724 0 .02443 2 0.09211 7 0. 11654 9 0.35150 18

o TOE 3.725 0 . 0 244

3 A A A /. 0. 09204 -77 0.11645 10 0,35 132 18

3.726 0.02438 2 0.09197 7 0,11635 9 0.35114 18

o "7 O ^ 3.727 3 A A O 1 O A 0.09190 -7

1 0 , i i b 2 0 y 0.35 096 lo

o "TOO A A 0 A ^ Q o

c. A A Q T Q "2 U . 0 9 i t5 3

•7

1 A 1 1 A 1 "7 0 , 1 1 0 i /

1 A A CI K A 7 £3 0 , 5 D 0 ' D 1 0

3 . 729 A A O /i "3 1 U . 0 245 i 2 A A O 1 "7 /I. 0 . 09 i ( o

—1

1 A 1 1 A A 7

0 , 1 lo 0 ' V A A A A 0,35060 1 CS 3.730 A A 1 /. O O

0 • 02429 3

A A A 1 £ O

0 .09 169 —J1 A 1 1 C A 0 0 , 1 1 5 9o 1 A 10 A 0 C A /. 0 0,35042 1 D io

3.731 0,02426 2 0.09162 7 0,11588 9 0,35024 18

3.732 0 , 02424 3 0,09155 6 0,11579 9 0, 35006 18

3.733 0 ,0242

2 0,09149 7 0, 11570 10 0, 34988 18

3.734 0,02419 3

A A O T /. O 0,09 142 7 0,11560 9 0

3h9 7 0 17

3 . ' -35 A A 9 A 1 A U , (J ^ *+ 1 C3 c. U , U 7 1 3 3

-7

^ Q7 A "3 Zj Q c; Q

1 0

3.736 0,02414 3 0,09128 7 0,11542 10 0,34935 18

3 • 737 2 A A O T T 1

-71 0,11532 A9 0 • 1

lo

3 . 738 0 , 02409 2

A Anil/. 0.09114 -7 0.11523 9A 0 / 0 0 A

0 • 34o99 18

3.739 0 ,02407 3 0,09107 7 0.11514 10 0. 3488

18

3.740 0 ,02404 2 0,09100 7 0,11504 9 0.34863 18

3.741 0 ,02402 3 0, 09093 7 0,11495 9 0. 34845 18

3.742 0 ,02399 2 0,09086 6 0,1 1486 10 0. 34827 18

3 • 743 0 ,02397 3 0, 09080 7 0,11476 9 0 . 3480 9 18

3 . 744 2

A A n A "7 Q 0, 09073 -7 A 1 T /• £ ~7 0,1 146 1 A

9 0 . 34 /9 1 1 0

3 . 745 0,02392 2

A A A A ^ / 0 , 09 066 1 A 1 1 /i C 0 0,1 1458 1 A

1

A "2 /. 7 7 0.34/^3 1 -7 1 I

3.746 0,02390 3 0,09059 7 0, 11448 9 0,34756 18

3.747 0,02387 2 0.09052 7 0, 11439 9 0.34738 18

3.748 0,02385 3 0,09045 7 0, 11430 9 0.34720 18

3.749 0.02382 2 0,09038 6 0, 11421 10 0,34702 18

3.750 0.02380 0.09032 0,11411 0, 34684

104
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

X -(F0-E°)/RT A (h°-e°)/rt \ 0

A A qo/r

P

A

3.750 0.02380 3 0.09032 7 0.11411 9 0.34684 18

3.751 0.02377 2 0.09025 7 0. 11402 9 0.34666 18

3.752 0.02375 2 0,09018 7 0.11393 9 0.34648 18

3.753 0.02373 3 0,09011 7 0.11384 10 0.34630 17

3.754 0.02370 2 0,09004 7 0.11374 9 0.34613 18

3.755 0.02368 3 0,08997 6 0.11365 9 0,34595 18

3.756 0,02365 2 0.08991 7 0.11356 9 0.34577 18

3.757 0.02363 2 0.08984 7 0.11347 9 0.34559 18

3.758 0.02361 3 0.08977 7 0.11338 10 0.34541 17

3.759 0.02358 2 0.08970 7 0.11328 9 0.34524 18

3.760 0,02356 2 0.08963 6 0.11319 9 0.34506 18

3.761 0.02354 3 0.08957 7 0.11310 9 0.34488 18

3.762 0.02351 2 0.08950 7 0.11301 9 0. 34470 18

3.763 0.02349 3 0.08943 7 0. 11292 9 0.34452 17

3.764 0.02346 2 0.08936 7 0. 11283 10 0.34435 18

3.765 0.02344 2 0.08929 6 0.11273 9 0.34417 18

3.766 0.02342 3 0.08923 7 0.11264 9 0.34399 18

3.767 0.02339 2 0.08916 7 0.11255 9 0.34381 17

3.768 0.02337 2 0.08909 7 0.11246 9 0.34364 18

3.769 0.02335 3 0.08902 6 0. 11237 9 0.34346 18

3.770 0.02332 2 0.08896 7 0.11228 9 0.34328 18

3.771 0.02330 3 0.08889 7 0.11219 9 0.34310 17

3.772 0.02327 2 0.08882 7 0.11210 9 0.34293 18

3.773 0.02325 2 0.08875 6 0.11201 9 0.34275 18

3.774 0.02323 3 0.08869 7 0.11192 10 0.34257 18

3.775 0.02320 2 0.08862 7 0.11182 9 0.34239 17

3.776 0.02318 2 0.08855 6 0.11173 9 0.34222 18

3.777 0.02316 3 0.08849 7 0.11164 9 0. 34204 18

3.778 0.02313 2 0.08842 7 0. 11155 9 0.34186 17

3.779 0.0231

2 0.08835 7 0.11146 9 0.34169 18

3.780 0.02309 3 0.08828 6 0.11137 9 0.34151 18

3.781 0.02306 2 0.08822 7 0.11128 9 0.34133 17

3.782 0.02304 2 0.08815 7 0.11119 9 0.34116 18

3.783 0.02302 3 0.08808 6 0.11110 9 0.34098 18

3.784 0,02299 2 0.08802 7 0.11101 9 0. 34080 17

3.785 0.02297 2 0.08795 7 0.1 1092 9 0.34063 18

3.786 0,02295 3 0.08788 6 0.11083 9 0. 34045 18

3.787 0,02292 2 0.08782 7 0. 11074 9 0.34027 17

3.788 0,02290 2 0.08775 7 0. 11065 9 0. 34010 18

3.789 0.02288 3 0.08768 6 0.11056 9 0.33992 17

3.790 0,02285 2 0. 08762 7 0.11047 9 0.33975 18

3.791 0,02283 2 0.08755 7 0. 11038 9 0.33957 18

3.792 0,02281 2 0.08748 6 0.11029 9 0.33939 17

3.793 0.02279 3 0.08742 7 0.11020 9 0.33922 18

3.794 0 .02276 2 0.08735 6 0.11011 9 0. 33904 17

3.795 0.02274 2 0.08729 7 0.11002 8 0.33887 18

3.796 0.02272 3 0.08722 7 0. 10994 9 0.33869 18

3.797 0.02269 2 0.08715 6 0. 10985 9 0.33851 17

3.798 0,02267 2 0.08709 7 0. 10976 9 0.33834 18

3.799 0,02265 3 0.087C2 7 0.10967 9 0.33816 17

3.800 0,02262 0.08695 0. 10958 0,33799

638951 O - 62 - 8 105
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

A

_('T?o_Tr,o'\ /RT fH°-E°)/RT

0 S°/R A c°/r

p

A

3.800 0.02262 2 0.08695 6 0.10958 9 0 .33799 18

3.801 0.02260 2 0.08689 7 0.10949 9 0 .33781 17

3.802 0.02258 2 0.08682 6 0.10940 9 0 .33764 18

3.803 0.02256 3 0. 08676 7 0.10931 9 0 .33746 17

3.80^ 0.02253 2 0.08669 7 0.10922 8 0 .33729 18

3.805 0.02251 2 0.08662 6 0.10914 9 0 .33711 18

3.806 0.02249 2 0.08656 7 0. 10905 9 0 .33693 17

3.807 0.02247 3 0.08649 6 0. 10896 9 0 .33676 18

3.808 0.02244 2 0.08643 7 0.10887 9 0 .33658 17

3.809 0.02242 2 0.08636 6 0.10878 9 0 .33641 18

3.810 0.02240 3 0.08630 7 0. 10869 9 0 .33623 17

3.811 0.02237 2 0.08623 7 0.10860 8 0 .33606 18

3.812 0.02235 2 0.08616 6 0.10852 9 0 .33588 17

3.813 0.02233 2 0.08610 7 0.10843 9 0 .33571 18

3*81^ 0,02231 3 0.08603 6 0. 10834 9 0 .33553 17

3.815 0,02228 2 0.08597 7 0.10825 9 0 .33536 17

3.8 16 0,02226 2 0.08590 6 0.10816 8 0 .33519 18

3.817 0,02224 2 0.08584 7 0.10808 9 0 .33501 17

3.818 0,02222 3 0.08577 6 0.10799 9 0 ,33484 18

3.819 0 ,02219 2 0.08571 7 0.10790 9 0 ,33466 17

3.820 0,02217 2 0.08564 6 0.10781 8 0 ,33449 18

3.821 0.02215 2 0.08558 7 0. 10773 9 0 ,33431 17

3.822 0.02213 3 0.08551 6 0. 10764 9 0 ,33414 18

3.823 0.02210 2 0.08545 7 0.10755 9 0 ,33396 17

3.824 0 ,02208 2 0.08538 6 0. 10746 8 0 ,33379 17

3.825 0,02206 2 0.08532 7 0. 10738 9 0 ,33362 18

3.826 0,02204 2 0.08525 6 0.10729 9 0 ,33344 17

3.827 0,02202 3 0.08519 7 0.10720 8 0 ,33327 18

3.828 0,02199 2 0,08512 6 0.10712 9 0 ,33309 17

3.829 0,02197 2 0.08506 7 0.10703 9 0 ,33292 17

3.830 0.02195 2 0.08499 6 0. 10694 9 0 ,33275 18

3.831 0,02193 3 0.08493 7 0. 10685 8 0 ,33257 17

3.832 0,02190 2 0.08486 6 0.10677 9 0 ,33240 17

3.833 0,02188 2 0.08480 7 0. 10668 9 0 ,33223 18

3.834 0,02186 2 0.08473 6 0.10659 8 0 ,33205 17

3.835 0,02184 2 0.08467 6 0.10651 9 0 ,33188 17

3.836 0,02182 3 0,08461 7 0. 10642 8 0 .33171 18

3.837 0,02179 2 0.08454 6 0.10634 9 0 ,33153 17

3.838 0 .02177 2 0.08448 7 0. 10625 9 0 ,33136 17

3.839 0,02175 2 0.08441 6 0.10616 8 0 ,33119 18

3.840 0,02173 2 0.08435 7 0.10608 9 0 ,33101 17

3.841 0,02171 3 0.08428 6 0.10599 9 0 ,33084 17

3.842 0,02168 2 0.08422 6 0. 10590 8 0 ,33067 18

3.843 0 .02166 2 0.08416 7 0.10582 9 0 ,33049 17

3.844 0,02164 2 0.08409 6 0. 10573 8 0 ,33032 17

3.845 0,02162 2 0.08403 7 0. 10565 9 0 ,33015 18

3.846 0,02160 3 0.08396 6 0.10556 9 0 ,32997 17

3.847 0,02157 2 0.08390 6 0. 10547 8 0 32980 17

3.848 0.02155 2 0.08384 7 0.10539 9 0 ,32963 17

3.849 0,02153 2 0.08377 6 0.10530 8 0 ,32946 18

3.850 0.02151 0,08371 0. 10522 0 ,32928

106
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

T (h°-e°)/rt s°/r A c°/r

P

3 .850 0.02151 2 0 .08371 7 0.10522 9 0.32928 17

3 ,851 0.02149 2 0 .08364 6 0,10513 8 0.32911 17

3 .832 0.02147 3 0 .08358 6 0,10505 9 0.32894 17

3 .853 0.02144 2 0 .08352 7 0,10496 8 0.32877 18

3 .854 0.02142 2 0 ,08345 6 0, 10488 9 0. 32859 17

3 ,855 0,02140 2 0 ,08339 6 0,10479 8 0.32842 17

3 .856 0.02138 2 0 ,08333 7 0,10471 9 0.32825 17

3 ,857 0,02136 2 0 ,08326 6 0.10462 8 0.32808 17

3 ,858 0.02134 3 0 .08320 6 0. 10454 9 0.32791 18

3 .859 0.02131 2 0 .08314 7 0. 10445 8 0.32773 17

3 .860 0.02129 2 0 ,08307 6 0. 10437 9 0.32756 17

3 .861 0.02127 2 0 ,08301 6 0. 10428 8 0.32739 17

3 .862 0.02125 2 0 ,08295 7 0.10420 9 0.32722 17

3 ,863 0.02123 2 0.,08288 6 0.10411 8 0.32705 18

3 ,864 0.02121 2 0 ,08282 6 0.10403 9 0.32687 17

3 .865 0.02119 3 0,(08276 7 0.10394 8 0.32670 17

3 .866 0,02116 2 0 ,08269 6 0.10386 9 0.32653 17

3 .867 0,02114 2 0(,08263 6 0.10377 8 0.32636 17

3 .868 0,02112 2 0.,08257 7 0. 10369 9 0.32619 17

3 .869 0,02110 2 0.(08250 6 0,10360 8 0.32602 17

3 .870 0.02108 2 0. 08244 6 0. 10352 8 0.32585 18

3 .871 0,02106 2 Oi 08238 6 0. 10344 9 0.32567 17

3.,872 0.02104 2 0, 08232 7 0. 10335 8 0.32550 17

3 .873 0.02102 3 0. 08225 6 0.10327 9 0.32533 17

3 ,874 0.02099 2 0.,08219 6 0.10318 8 0.32516 17

3 ,875 0.02097 2 Oi 08213 7 0.10310 8 0.32499 17

3.,876 0.02095 2 0« 08206 6 0.10302 9 0.32482 17

3<,877 0.02093 2 0< 08200 6 0.10293 8 0.32465 17

3 ,878 0.02091 2 0.(08194 6 0. 10285 8 0.32448 17

3 ,879 0.02089 2 0.(08188 7 0.10277 9 0. 32431 18

3 .880 0.02087 2 Oi(08181 6 0. 10268 8 0.32413 17

3 ,881 0.02085 3 0.(08175 6 0. 10260 9 0.32396 17

3 ,882 0.02082 2 0.(08169 6 0.10251 8 0.32379 17

3 ,883 0.02080 2 0.(08163 6 0. 10243 8 0.32362 17

3 ,884 0.02078 2 0.(08 157 7 0.10235 9 0.32345 17

3 ,885 0.02076 2 0

(08150 6 0. 10226 8 0. 32328 17

3 .886 0,02074 2 08 144 6 0.10218 8 0.32311 17

3 .887 0.02072 2 (08138 6 0.10210 8 0.32294 17

3 .888 0,02070 2 0« 08132 7 0.10202 9 0.32277 17

3 ,889 0,02068 2 0.(08125 6 0.10193 8 0,32260 17

3 .890 0,02066 2 .08 ( U 1X X197 6 0. 10185 8 0.32243 17

3 ,891 0,02064 2 0 ,08 1 1

6 0. 10177 9 0.32226 17

3 ,892 0,02062 3 0 <,08107 6 0. 10168 8 0.32209 17

3 ,893 0.02059 2 0 <,08101 7 0. 10160 8 0.32192 17

3 ,894 0.02057 2 0 ,08094 6 0.10152 8 0.32175 17

3 ,895 0,02055 2 0<(08088 6 0. 10144 9 0.32158 17

3 ,896 0,02053 2 0 ,08082 6 0.1C135 8 0.32141 17

3 ,897 0.02051 2 0 ,08076 6 0.10127 8 0.32124 17

3 .898 0.02049 2 Oi(08070 6 0.10119 8 0.32107 17

3 .899 0,02047 2 Oi(08064 7 0.10111 9 0. 32090 17

3 .900 0.02045 0 ,08057 0. 10102 0.32073

107
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

X -(f°-e°)/rt A (H0-E°)/RT A S°/R A C^R A

3.900 0.02045 2 0.08057 6 0.10102 8 0 .32073 17

3.901 0.02043 2 0.08051 6 0. 10094 8 0 .32056 17

3.902 0.02041 2 0.08045 6 0. 10086 8 0 .32039 17

3.903 0.02039 2 0.08039 6 0.10078 8 A\J . 32022 17

3.904 0.02037 2 0.08033 6 0.10070 9 0 .32005 16

3.905 0.02035 2 0.08027 6 0.10061 8 0 .31989 17

3.906 0.02033 2 0.08021 7 0.10053 8 0 .31972 17

3.907 0.02031 3 0.08014 6 0.10045 8 0 .31955 17

3.908 0.02028 2 0. 08008 6 0.10037 8 0 .31938 17

3.909 0.02026 2 0.08002 6 0.10029 9 0 .31921 17

3.910 0.02024 2 0.07996 6 0.10020 8 0 .31904 17

3.911 0.02022 2 0.07990 6 0.10012 8 0 .31887 17

3.912 0.02020 2 0.07984 6 0.10004 8 0 .31870 17

3.913 0.02018 2 0.07978 6 0.09996 8 0 ,31853 16

3.914 0,02016 2 0.07972 6 0.09988 8 0 ,31837 17

3.915 0.02014 2 0.07966 7 0.09980 8 0 .31820 17

3.916 0.02012 2 0.07959 6 0.09972 8 0 .31803 17

3.917 0.02010 2 0.07953 6 0.09964 9 0 .31786 17

3.918 0.02008 2 0.07947 6 0.09955 8 0 .31769 17

3.919 0,02006 2 0.07941 6 0.09947 8 0 .31752 17

3.920 0.02004 2 0.07935 6 0.09939 8 0 ,31735 16

3.921 0.02002 2 0.07929 6 0.09931 8 0 ,31719 17

3.922 0.02000 2 0.07923 6 0.09923 8 0 .31702 17

3.923 0,01998 2 0.07917 6 0.09915 8 0 ,31685 17

3.924 0.01996 2 0.07911 6 0.09907 8 0 .31668 17

3.925 0.01994 2 0.07905 6 0.09899 8 0 ,31651 16

3.926 0.01992 2 0.07899 6 0.09891 8 0 .31635 17

3.927 0.01990 2 0.07893 6 0.09883 8 0 ,31618 17

3.928 0,01988 2 0.07887 6 0.09875 8 0 ,31601 17

3.929 0,01986 2 0.07881 6 0.09867 8 0 ,31584 17

3.930 0,01984 2 0.07875 6 0.09859 8 0 .31567 16

3.931 0,01982 2 0.07869 6 0.09851 8 0 .31551 17

3.932 0,01980 2 0.07863 6 0.09843 9 0 .31534 17

3.933 0,01978 2 0.07857 6 0.09834 8 0 ,31517 17

3.934 0,01976 2 0.07851 6 0.09826 8 0 .31500 16

3.935 0,01974 2 0.07845 6 0.09818 8 0 QIAO/. 17

3.936 0,01972 2 0.07839 6 0.09810 8 0 .31467 17

3.937 0,01970 2 0.07833 6 0.09802 7 0 ,31450 16

3.938 0 ,01968 2 0.07827 6 0.09795 8 0 ,31434 17

3.939 0.01966 2 0.07821 6 0.09787 8 0 .31417 17

3.940 0,01964 2 0.07815 6 0.09779 8 0 .31400 17

3.941 0,01962 2 0.07809 6 0.09771 8 0 ,31383 16

3.942 0,01960 2 0.07803 6 0.09763 8 0 ,31367 17

3.943 0,01958 2 0.07797 6 0.09755 8 0 ,31350 17

3.944 0.01956 2 0.07791 6 0.09747 8 0 ,31333 16

3.945 0,01954 2 0.07785 6 0.09739 8 0 ,31317 17

3.946 0,01952 2 0.07779 6 0.09731 8 0 •31300 17

3.947 0.01950 2 0,07773 6 0.09723 8 0 ,31283 16

3 ,948 0 ,01948 2 0,07767 6 0.09715 8 0 ,31267 17

3.949 0,01946 2 0.07761 6 0.09707 8 0 ,31250 17

3.950 0 ,01944 0.07755 0.09699 0 ,31233

108
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z -fF°-E°)/RT fH°-E°)/RT s°/h c °/r A

.950 0.01944 2 0,07755 6 0.09699 8 0. 31233 16

a • 951 0.01942 2 0,07749 6 0.09691 8 0, 31217 17

•a ,952 0,01940 2 0,07743 6 0.09683 8 0. 31200 17

3 ,953 0.01938 2 0,07737 6 0,09675 7 0« 31183 16

3 ,954 0.01936 2 0,07731 6 0.09668 8 Oi 31167 17

,955 0,01934 1 0,07725 6 0.09660 8 0. 31150 16

a ,956 0,01933 2 0,07719 6 0.09652 8 0. 31134 17

,957 0,01931 2 0,07713 5 0.09644 8 0. 31117 17

3 ,958 0,01929 2 0,07708 6 0,09636 8 0. 31100 16

3 ,959 0,01927 2 0,07702 6 0.09628 8 0. 31084 17

Q A n 0,01925 2 0,07696 6 0.09620 7 0« 31067 16

OA 1

, 70 1 0,01923 2 0.07690 6 0.09613 8 0. 31051 17

. 9(=v ? t 7 Q £ 0,01921 2 0.07684 6 0.09605 8 0, 31034 17

3 ,963 0,01919 2 0,07678 6 0,09597 8 0« 31017 16

3 ,964 0,01917 2 0.07672 6 0,09589 8 0. 31001 17

a 0,01915 2 0,07666 6 0,09581 8 0. 30984 16

•a ,966 0,01913 2 0,07660 6 0,09573 7 0. 30968 17

,967 0,01911 2 0,07654 5 0,09566 8 0. 30951 16

3 ,968 0,01909 2 0,07649 6 0,09558 8 0. 30935 17

3 ,969 0,01907 2 0,07643 6 0,09550 8 0. 30918 16

•a .970 0,01905 2 0,07637 6 0,09542 8 0. 30902 17

3 ,971 0,01903 1 0,07631 6 0,09534 7 0. 30885 16

,972 0,01902 2 0,07625 6 0,09527 8 0, 30869 17

3 ,973 0,01900 2 0,07619 6 0,09519 8 0. 30852 16

3 ,974 0,01898 2 0,07613 5 0,09511 8 0, 30836 17

3 ,975 0,01896 2 0.07608 6 0,09503 7 0. 30819 16

3 ,976 0,01894 2 0.07602 6 0,09496 8 0. 30803 17

3 ,977 0,01892 2 0.07596 6 0,09488 8 0. 30786 16

3 ,978 0,01890 2 0.07590 6 0,09480 8 0. 30770 17

3 ,979 0,01888 2 0.07584 6 0,09472 7 0. 30753 16

3 ,980 0,01886 2 0.07578 5 0.09465 8 0. 30737 17

3 ,981 0,01884 2 0,07573 6 0.09457 8 0. 30720 16

3 ,982 0,01882 1 0.07567 6 0,09449 7 0. 30704 17

3 ,983 0,01881 2 0,07561 6 0,09442 8 0, 30687 16

3 .984 0,01879 2 0,07555 6 0,09434 8 0. 30671 16

3 ,985 0,01877 2 0,07549 5 0,09426 7 0. 30655 17

3 ,986 0,01875 2 0,07544 6 0,09419 8 0. 30638 16

3 ,987 0,01873 2 0,07538 6 0,09411 8 0. 30622 17

3 ,988 0,01871 2 0,07532 6 0,09403 8 0. 30605 16

3 ,989 0,01869 2 0,07526 5 0.09395 7 0, 30589 17

3 .99 0 0,01867 2 0,07521 6 0,09388 8 0, 30572 16

3 .991 7 7 i 0,01865 1 0,07515 6 0.09380 8 0. 30556 16

3 .99? • 77^ 0,01864 2 0.07509 6 0.09372 7 0. 30540 17

3 .993 77^ 0,01862 2 0.07503 6 0.09365 8 0. 30523 16

3 .994 0,01860 2 0,07497 5 0.09357 7 0. 30507 16

3 ,995 0,01858 2 0,07492 6 0.09350 8 0. 30491 17

3 .996 0,01856 2 0.07486 6 0.09342 8 0. 30474 16

3 ,997 0,01854 2 0,07480 6 0.09334 7 0. 30458 17

3 .998 0,01852 2 0.07474 5 0.09327 8 0. 30441 16

3 ,999 0,01850 1 0.07469 6 0.09319 8 0. 30425

.000 0,01849 0.07463 0.09311 0, 30409

109
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

AT -(f°-e°)/rt (h°-e°")/rt S°/R

4,00 0,01849 19 0.07463 57 0.09311 75 0.3040969591

4,01 0,01830 18 0.07406 57 0.09236 75 1 .00000 0

4.02 0,01812 19 0.07349 56 0.09161 75 1 .00000 0

4,03 0,01793 18 0.07293 56 0.09086 74 1 .00000 0

4.04 0,01775 17 0.07237 56 0.09012 73 1X .00000 0

4.05 0.01758 18 0.07181 55 0.08939 73 1 .00000 0

4.06 0.01740 18 0.07126 55 0.08866 72 1 .00000 0

4.07 0,01722 17 0,07071 54 0.08794 72 I .0000070879

4.08 0,01705 17 0,07017 54 0.08722 71 0 .29121 158

4.09 0,01688 17 0.06963 54 0.08651 71 0

9 ft O A '3 4. 10 0.01671 17 0.06909 53 0.08580 70 0 .28806 157

4, 11 0.01654 16 0.06856 53 0.08510 69 0 .28649 157

4,12 0.01638 17 0,06803 52 0.08441 69 0 .28492 155

4, 13 0.01621 16 0.06751 52 0.08372 68 0 .28337 156

4, 14 0.01605 16 0.06699 52 0.08304 68 0 1 54

4,15 0.01589 16 0.06647 51 0.08236 67 0 .28027 154

4, 16 0,01573 16 0.06596 51 0.08169 67 0 .27873 153

4,17 0,01557 15 0,06545 51 0.08102 66 r\U .27720 153

4, 18 0,01542 16 0.06494 50 0.08036 66 0 .27567 152

4, 19 0,01526 15 0.06444 50 0.07970 65 U . 27415 151

4,20 0,01511 15 0.06394 49 0.07905 65 .27264 151

4,21 0,01496 15 0.06345 50 0.07840 64 0 .27113 150

4.22 0,01481 15 0.06295 48 0.07776 64 n .26963 150

4,23 0,01466 15 0.06247 49 0.07712 63 .26813 149

4.24 0,01451 14 0.06198 48 0.07649 62 0 .26664 148

4,25 0.01437 15 0.06150 48 0.07587 62 0 .26516 148

4, 26 0.01422 14 0.06102 47 0.07525 62 0 .26368 147

4,27 0,01408 14 0.06055 47 0.07463 61 0 .2622 1 147

4, 28 0,01394 14 0.06008 47 0.07402 61 0 • 26074 145

4,29 0,01380 14 0.05961 46 0.07341 60 0 ,25929 146

4,30 0,01366 14 0.05915 46 0.07281 60 n ,25783 144

4,31 0,01352 13 0.05869 46 0.07221 59 0 ,25639 145

4,32 0,01339 13 0.05823 45 0.07162 59 n . 25494 143

4, 33 0.01326 14 0.05778 45 0.07103 58 n .2535

143

4, 34 0.01312 13 0.05733 45 0.07045 58 \j ,25208 142

4,35 0.01299 13 0.05688 45 0.06987 57 ,25066 142

4,36 0,01286 13 0.05643 44 0.06930 57 0 ,24924 141

4, 37 0,01273 13 0.05599 43 0.06873 57 n ,24783 140

4,38 0,01260 12 0.05556 44 0,06816 56 n ,24643 140

4,39 0,01248 13 0.05512 43 0.06760 55 n ,24503 140

4,40 0,01235 12 0.05469 43 0.06705 56 n ,24363 138

4,41 0,01223 12 0.05426 42 0.06649 54 0 ,24225 138

4,42 0,01211 12 0.05384 42 0.06595 55 0 ,24087 138

4,43 0,01199 12 0.05342 42 0.06540 53 0 ,23949 136

4,44 0,01187 12 0.05300 42 0.06487 54 0 ,23813 137

4,45 0,01175 12 0.05258 41 0.06433 53 0 ,23676 135

4,46 0,01163 12 0.05217 41 0.06380 52 0 ,23541 135

4,47 0,01151 11 0.05176 40 0.06328 53 0.,23406 135

4,48 0,01140 12 0.05136 41 0.06275 51 0 ,23271 134

4,49 0.01128 11 0.05095 40 0.06224 52 0.,23137 133

4,50 0,01117 0.05055 0.06172 0.,23004

110
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z _(Fo_eo)/rt A (h°-e°)/rt A A c°/r

P

A

4.50 0,01117 11 0<05055 40 0,06172 51 0.23004 133

4,51 0,01106 11 0 »05015 39 0,06121 50 0.22871 132

4,52 0,01095 1 1 0.04976 39 0,06071 50 0.22739 131

4,53 0,01084 10 ,04937 39 0,06021 50 0.22608 131

4,54 0,01073 1

0 ,04898 39 0,05971 49 0. 22477 130

4,55 0 , 0 1062 10 0 ,04859 38 0,05922 49 0. 22347 1 30

4,56 0,01052 11 0,.04821 38 0,05873 49 0.22217 129

4,57 0,01041 10 0 ,04783 38 0,05824 48 0.22088 129

4,58 0,01031 1

0 ,04745 37 0,05776 48 0.21959 128

4 ,59 0,01020 10 0 , 04708 37 0,05728 47 0.218 31 1 27

4,60 0.01010 10 0.,04671 37 0.05681 47 0. 21704 127

4,61 0.01000 10 0 ,04634 37 0.05634 47 0.21577 126

4,62 0 .00990 10 0 ,04597 36 0 .05387 46 0.2 145

126

4, 63 0.00980 10 0 ,04561 36 0.05541 46 0.21325 125

4,64 0 .00970 9 0<> 04525 36 0 .05495 45 0.21200 1 24

4,65 0 .0096

10 0 ,04489 35 0.05450 45 0.21076 124

4,66 0.00951 9 0.,04454 36 0.05405 45 0.20952 124

4,67 0.00942 1 M IQ 0<,04418 35 0 .05360 45 0. 20828 122

4,68 0 .00932 9 0.,04383 34 0.05315 44 0. 20706 122

4,69 0,00923 9 0<,04349 35 0.05271 43 0. 20584 122

4,70 0 ,00914 9 0.,04314 34 0.05228 44 0. 20^62 121

4,71 0,00905 9 0<,04280 34 0.05184 43 0.20341 120

4,72 0 .00896 9 Oi 04246 34 0.05141 42 0. 2022 1 120

4,73 0,00887 9 0,,04212 33 0.05099 43 0. 20101 120

4,74 0 ,00878 9 0«,04179 34 0.05036 42 0. 1998 1 118

4,75 0,00869 9 0< 04145 33 0.05014 41 0. 19863 1 19

4,76 0,00860 8 Oi

g 04112 32 0.04973 42 0. 19744 117

4.77 0,00852 9 0. 04080 33 0.04931 41 0. 19627 117

4.78 0 .00843 8 0. 04047 32 0.04890 40 0.19510 117

4 , 79 0 .00835 9 Oi 04015 oZ 0.04O50 H i 0 . 1 V 3 y 3 1 ifc> 4.80 0 .008^:6 8 Oi 03983 0.04809 40 — 1 Q O "7 "7 lis

4,81 0.00818 8 Oi 03951 31 0.04769 39 0. 19162 115

4,82 8 Oi 03920 Q 1 D X 0,04730 /i r\ A 1 O /\ /. T 1 4,83 0.00802 8 Oi 03889 3

0 . 04690 3y 0» loV :>

IT/. 114

4,84 0 .00794 8 Oi.03858 31 0.04651 38 0 . loo i 9 113

4,85 0.00786 8 Oi.03827 31 0.04613 39 0. 18706 113

4,86 0.00778 8 Oi.03796 30 0.04574 38 0. 18593 112

4.87 0.00770 7 Oi 03766 30 0.04536 38 0. 1848 1 111

4.88 0.00763 8 Oi 03736 30 0.04498 37 0. 18370 111

4.89 0.00755 8 0<.03706 30 0,04461 37 0. 18259 110

4.90 0.00747 7 0«.03676 29 0,04424 37 0.18149 110

4.91 0.00740 7 0 ,03647 29 0.04387 37 0. 18039 110

4.92 0.00733 8 0<,03618 29 0.04350 36 0.17929 108

4,93 0.00725 7 0<,03589 29 0.04314 36 0. 17821 109

4.94 0.00718 7 0 ,03560 29 0. 04278 36 0. 17712 107

4. 95 0.00711 7 0.,03531 28 0.04242 35 0. 17605 108

4.96 0.00704 7 0 ,03503 28 0.04207 35 0. 17497 106

4,97 0.00697 7 0(,03475 28 0.04172 35 0.17391 106

4,98 0,00690 7 0<,03447 28 0.04137 35 0. 17285 106

4,99 0.00683 7 0,,03419 27 0.04102 34 0. 17179 105

5.00 0.00676 0 ,03392 0.04068 0. 17074

111
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

X -(f°-e°)/rt A (h°-e°)/rt A A C^R A

5.00 0,00676 7 0( A Q O O 27 0.04068 34 0 • 17074 104

5.01 0,00669 6 u 1 U ^ -5 D 3 27 0.04034 34 0

1 A Q 7 A 104

5.02 0,00663 7 0

A 'a d ^ Q 27 0.04000 33 0

1 ^ O ^ 1^ , I6OO6 104

5.03 0.00656 7 0 ,03311 27 0.03967 33 0 , 16762 103

5. OA 0,00649 6 0.,03284 26 0.03934 33 0 ,16659 102

5.05 0.00643 6 U < O 5 R R 27 0.03901 33 A04 1 A "7 102

5.06 0,00637 7 0 1,0323

26 0.03868 32 U i 101

5.07 0,00630 6 0

V t 1 V -/ A. u 26 0.03836 33 A

U i 1 il "3 E A

» 1 0 ^ I? H 101

5.08 0,00624 6 0,,03179 25 0.03803 31 0.,16253 loo

5.09 0,00618 6 Oi,03154 26 0.03772 32 0.,16153 loo

5.10 0,00612 7 ,03128 25 0.03740 31 n. 100

5. 11 0,00605 6 0<,03103 25 0.03709 31 , 1595 3 98

5. 12 0,00599 6 ,03078 25 0.03678 31 ftU ,

i,15855 99

5. 13 0,00593 6 0.,03053 24 0.03647 31 0.,15756 97

5. 14 0,00587 5 0.,03029 25 0.03616 30 0 , 15659 98

5. 15 0,00582 6 n. 1 \j ^ \j \j ^ 24 0.03586 30 U i.1556] 96

5. 16 0,00576 6 n <>n?9R0 24 0.03556 30 U i 97

5.17 0,00570 6 u *, U t V J o 24 0.03526 30 U i\ i -* 0 0 95

5. 18 0.00564 5 Oi»02932 24 0.03496 29 0.15273 96

5. 19 0.00559 6 Oi02908 23 0.03467 29 0<15177 94

5.20 0.00553 5 U i1 U ^ O O 24 0.03438 29 U

» 1, ^ u 0 J 95

5.21 0.00548 6

AU 1k U ^ O O 1 23 0.03409 29 u <k i *+ y 0 0 93

5.22 0.00542 5 A 9 '5. 23 0.03380 28 0

93

5.23 0.00537 6 0.,02815 23 0.03352 28 0.,14801 93

5.24 0.00531 5 0«,02792 23 0.03324 28 Oi,14709 93

5.25 0.00526 5

r\U 4 n ? 7 A Q 22 0.03296 28 A

U i 1 ZlA 1 A 91

5.26 0,00521 5 KJ i 22 0.03268 28 U 1, 1.^ J C J 92

5.27 0,00516 5 22 0.03240 27 , 14433 90

5.28 0,00511 6 0.,02703 22 0.03213 27 0.,14343 91

5.29 0.00505 5 0<,02681 22 0.03186 27 Oi 14252 90

5.30 0.00500 5 0

02659 22 0.03159 26 14162 89

5.31 0.00495 5 o«,02637 21 0.03133 27 0,, 14073 89

5.32 0.00490 4 Oi 02616 22 0.03106 26 0« 13984 88

5.33 0.00486 5 Oi 02594 21 0.03080 26 0.,13896 88

5. 34 0.00481 5 Oi 02573 21 0.03054 26 0.,13808 88

5. 35 0.00476 5 0 M 0255 2 20 0.03028 25 13720 87

5.36 0.00471 4 V i \J ^ ^ ^ £- 21 0.03003 26 13633 86

5,37 0.00467 5 n

u < n ? s 1 1

i \j ^ J 1. 1. 21 0.02977 25 U 4 X J ^ ( 86

5, 38 0.00462 5 0.,02490 20 0.02952 25 0. 13461 86

5.39 0,00457 4 04,02470 20 0.02927 24 0. 13375 85

5,40 0.00453 5 U 1 20 0.02903 25 U *

1 ^ ? Q n 85

5,41 0 .00448 4 U 1 A 9 Zl A U ^ H- ^ U 20 0.02878 24 AU < i -) t u 84

5,42 0.00444 5 AU 4 n 9 Zi. 1 n U ^ i u 20 0.02854 24 A

U i 1 _> X <L 1 83

5,43 0.00439 4 U 4 A 7 -3 Q A 19 0.02830 24 U • X J u 0 84

5,44 0,00435 4 0. 02371 19 0.02806 24 0. 12954 83

5.45 0,00431 5 0. 02352 20 0,02782 23 0. 12871 82

5.46 0.00426 4 0. 02332 19 0.02759 24 0. 12789 82

5,47 0,00422 4 0. 02313 19 0.02735 23 0. 12707 81

5.48 0,00418 4 0. 02294 18 0.02712 23 0. 12626 81

5,49 0.00414 4 0. 02276 19 0.02689 23 0. 12545 81

5,50 0,00410 Oi 02257 0.02666 0. 12464

112
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

X -(f°-e°)/rt A (h°-e°)/rt L So/R C o/R

p

A

5.50 0,00410 5 0,02257 19 0,02666 22 Oi,12464 80

5.51 0,00405 4 0.02238 18 0.02644 22 0., 12384 80

5.52 0,00401 4 0,02220 18 0.02622 23 0.. 12304 79

5.53 0,00397 4 0.02202 18 0.02599 22 0.,12225 79

5.54 0,00393 3 0.02184 18 0.02577 22 0.,12146 78

5.55 0,00390 4 0,02166 18 0,02555 21 0., 12068 78

5.56 0,00386 4 0,02148 17 0,02534 22 0.,11990 77

5.57 0,00382 4 0,02131 18 0,02512 21 0.,11913 77

5.58 0,00378 4 0,02113 17 0,02491 21 Oi,11836 77

5.59 0,00374 4 0,02096 18 0.02470 21 0<,11759 76

5,60 0,00370 3 0,02078 17 0,02449 21 0.,11683 76

5.61 0,00367 4 0,02061 17 0,02428 20 0.,11607 75

5,62 0,00363 3 0.02044 16 0,02408 21 0.,11532 75

5,63 0,00360 4 0.02028 17 0,02387 20 0.,11457 75

5,64 0,00356 4 0.02011 17 0,02367 20 0.,11382 74

5,65 0,00352 3 0.01994 16 0,02347 20 0.,11308 73

5,66 0,00349 4 0.01978 16 0,02327 20 0. 11235 74

5, 67 0 ,00345 3 0,01962 16 0,02307 20 0.,11161 72

5,68 0,00342 3 0,01946 16 0,02287 19 0.,11089 73

5,69 0,00339 4 0,01930 16 0, 02268 19 0., 1 1016 72

5,70 0,00335 3 0,01914 16 0,02249 19 0.,10944 71

5.71 0,00332 3 0,01898 16 0.02230 19 0. 10873 72

5.72 0,00329 4 0,01882 15 0,02211 19 0. 10801 70

5.73 0,00325 3 0,01867 16 0.02192 19 0. 10731 71

5. 74 0,00322 3 0.01851 15 0.02173 18 0. 10660 70

5.75 0,00319 3 0,01836 15 0.02155 19 0. 10590 69

5.76 0,00316 4 0,01821 15 0.02136 18 0. 10521 69

5.77 0,00312 3 0,01806 15 0.02118 18 Oi 10452 69

5,78 0,00309 3 0,01791 15 0,02100 18 0< 1038 3 68

5,79 0 ,00306 3 0,01776 15 0.02082 17 0> 10315 68

5,80 0,00303 3 0,01761 14 0,02065 18 0. 10247 68

5.81 0,00300 3 0,01747 15 0,02047 18 0. 10179 67

5.82 0,00297 3 0,01732 14 0.02029 17 0. 10112 67

5.83 0,00294 3 0,01718 14 0.02012 17 0. 10045 66

5,84 0,00291 3 0, 01704 14 0.01995 17 0. 09979 66

5,85 0,00288 2 0,01690 14 0.01978 17 0. 09913 66

5,86 0,00286 3 0,01676 14 0.01961 17 0. 09847 65

5,87 0,00283 3 0.01662 14 0.01944 16 0. 09782 65

5,88 0,00280 3 0,01648 14 0.01928 17 0. 09717 64

5.89 0,00277 3 0,01634 13 0.01911 16 0. 09653 65

5,90 0,00274 2 0.01621 14 0.01895 16 0. 09588 63

5,91 0,00272 3 0,01607 13 0.01879 16 0. 09525 64

5,92 0,00269 3 0,01594 13 0.01863 16 0. 09461 63

5.93 0,00266 2 0,0158 1 13 0.01847 16 0. 09398 62

5,94 0,00264 3 0,01568 13 0.01831 16 0. 09336 62

5,95 0,0026 1 3 0,01555 13 0.01815 15 0. 09274 62

5,96 0,00258 2 0,01542 13 0.01800 15 0. 09212 62

5,97 0,00256 3 0,01529 13 0.01785 16 0. 09150 61

5,98 0,00253 2 0.01516 13 0.01769 15 0. 09089 61

5,99 0,00251 3 0,01503 12 0.01754 15 0. 09028 60

6. 00 0 ,00248 0,01491 0,01739 0. 08968

113
Table I Harmonic Oscillator Contributions (in dlmensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z -(F0-E°)/RT

u A (h°-e°)/rtu A S°/R A G^R A

6,00 0.00248 2 0.01491 12 U 15 0 60

6.01 0.00246 3 0.01479 13 n 15 60

6.02 0.00243 2 0.01466 12 0u 14 nU t \J o o ^ o 59

6.03 0.00241 3 0.01454 12 0 .01695 15 0 ,08789 59

6. 04 0 .00238 2 0.01442 12 0 .01680 14 0 ,08730 59

6.05 0,00236 2 0.01430 12 0 .01666 14 0 ,0867

58

6.06 0.00234 3 0.01418 12 0 ,01652 14 0 ,0861

58

6.07 0.00231 2 0.01406 1

0 ,01638 15 0 ,08555 58

6.08 0.00229 2 0.0 1394 1

0 ,01623 13 0 .08497 57

6.09 0 .00227 2 0.01383 12 0 ,01610 14 0 ,08440 57

6. 10 0.00225 3 0.01371 11 -01596 14 o\J ,0838 3 56

6.11 0.00222 2 0.01360 12 n -01 S ft ? 13 r\u i \J O J £. 1 56

6. 12 0.00220 2 0,01348 11 u 0 1 ^ A Q 14 U , U o ^ / i 56

6.13 0.00218 2 0.01337 11 0 ,01555 13 0 ,08215 56

6. 14 0.00216 2 0,01326 11 0 .01542 14 0 ,08159 55

6. 15 0.00214 3 0.01315 11 0 •01528 13 0 ,08104 55

6. 16 0.00211 2 0.01304 11 n .01515 13 ,08049 54

6.17 0.00209 2 0.01293 11 0 .01502 13 0 ,07995 55

6.18 0.00207 2 0,01282 1

0 .01489 12 0 ,07940 54

6.19 0 ,00205 2 0.01271 10 0 .01477 13 0 ,07886 53

6.20 0,00203 2 0.01261 1.0 1464 13 ,07833 53

6.21 0.00201 2 0.01250 10 0 .01451 12 .07780 53

6.22 0.00199 2 0.01240 11 0 .0 1439 12 0 ,07727 53

6. 23 0.00197 2 0.01229 10 0 ,01427 13 0 ,07674 52

6. 24 0.00195 2 0.01219 10 0 .01414 12 0 .07622 52

6.25 0.00193 2 0.01209 10 0 ,01402 12 0 ,07570 52

6.26 0.00191 2 0.01199 10 0 ,01390 12 0 ,07518 51

6.27 0.00189 1 0.01189 10 0 ,01378 12 0 ,07467 51

6. 28 0.00188 2 0.01179 10 0 ,01366 12 0 ,07416 51

6. 29 0.00186 2 0.01169 10 0 ,01354 10 ,07365 50

6.30 0.00184 2 0.01159 10 . m 34'? 12 n ,07315 50

6.31 0.00182 2 0.01149 9 0 ,01331 11 0 ,07265 50

6. 32 0.00180 2 0.01140 10 0 .01320 12 0 ,07215 49

6.33 0.00178 1 0.01130 9 0 ,01308 11 0 ,07166 49

6. 34 0.00177 2 0.01121 10 0 ,01297 11 0 ,07117 49

6. 35 0.00175 2 0.01111 9 0 ,01286 11 0 ,07068 49

6. 36 0.00173 2 0.01102 9 0 ,01275 11 0 ,07019 48

6.37 0.00171 1 0.01093 10 0 , 01264 1

0 ,0697

48

6.38 0.00170 2 0.01083 9 0 ,01253 11 0 ,06923 47

6.39 0.00168 2 0 .01074 9 0 .01242 11 0 ,06876 48

6.40 0.00166 1 0.01065 9 nU 10 n -06828 t \mJ V V \J 47

6.41 0.00165 2 0.01056 9 1 221 11 \j ,0678

46

6. 42 0.00163 2 0.01047 9 n .^ 0\J 1X ?C 1X 0\J 10 n ,06735 47

6,43 0.00161 1 0.01038 8 0 1 0 1 200 10 0 ,06688 46

6.44 0.00160 2 0.01030 9 0 ,01190 11 0 ,06642 46

6,45 0.00158 1 0.01021 9 0 •01179 10 0.,06596 45

6.46 0.00157 2 0.01012 8 0 ,01169 10 0 ,06551 46

6.47 0.00155 1 0.01004 9 0 ,01159 10 0 ,06505 45

6. 48 0.00154 2 0.00995 8 0 ,01 149 10 0.,06460 44

6.49 0.00152 2 0.00987 8 0 ,01139 10 0.,06416 45

6.50 0.00150 0.00979 0 ,01129 0 ,06371

114
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z -(FO-E°)/rT A (H°-Eo)/RT

0

A s°/h A c°/r

P

A

6.50 0.00150 1 0*00979 9 0.01129 10 0.0637 1 44

6.51 0.00149 2 0.00970 8 0,01119 9 0.06327 44

6,52 0 .00147 1 0.00962 8 0,01110 10 0.06283 43

6,53 0,00146 1 0.00954 8 0.01100 9 0.06240 44

6,5^ 0,00145 2 0.00946 8 0.01091 10 0.06196 43

6,55 0 ,00143 1 0. C0938 8 0.01081 9 0.06153 43

6.56 0.00142 2 0.00930 8 0,01072 9 0.06110 42

6.57 0.00140 1 0,00922 8 0.01063 10 0.06068 42

6.58 0.00139 1 0.00914 7 0.01053 9 0.06026 42

6.59 0.00138 2 0.00907 8 0.01044 9 0.05984 42

6.60 0.00136 1 0.00899 8 0.01035 9 0.05942 42

6.61 0,00135 2 0.00891 7 0.01026 9 0.05900 41

6.62 0,00133 1 0.00884 8 0,01017 8 0.05859 41

6.63 0,00132 1 0.00876 7 0,01009 9 0.05818 40

6,6^ 0,00131 2 0.00869 7 0.01000 9 0.05778 41

6.65 0,00129 1 0.00862 8 0.00991 8 0.05737 40

6.66 0,00128 1 0.00854 7 0.00983 9 0.05697 40

6.67 0 ,00127 1 0.00847 7 0.00974 8 0.05657 39

6.68 0,00126 2 0.00840 7 0.00966 9 0.05618 40

6.69 0,00124 1 0.00833 7 0.00957 8 0.05578 39

6.70 0,00123 1 0.00826 7 0.00949 8 0.05539 39

6.71 0.00122 - 1 0.00819 7 0.00941 8 0.05500 38

6.72 0.00121 1 0,00812 7 0.00933 9 0.05462 39

6.73 0.00120 2 0,00805 7 0.00924 8 0.05423 38

6,74 0.00118 1 0, 00798 7 0.00916 8 0.05385 38

6.75 0.00117 1 0.00791 6 0.00908 7 0.05347 37

6.76 0.00116 1 0.00785 7 0.00901 8 0.05310 38

6,77 0.00115 1 0.00778 7 0.00893 8 0.05272 37

6, 78 0.001 14 1 0.00771 6 0.00885 8 0.05235 37

6.79 0.00113 2 0.00765 7 0.00877 7 0.05198 36

6.80 0.00111 1 0.00758 6 0.00870 8 0.05162 37

6.81 0,00110 1 0.00752 7 0.00862 7 0.05125 36

6.82 0,00109 1 0.00745 6 0.00855 8 0.05089 36

6. 83 0,00108 1 0.00739 6 0.00847 7 0.05053 36

6.84 0,00107 1 0. 00733 7 0.00840 8 0.05017 35

6.85 0,00106 1 0.00726 6 0.00832 7 0 .0498 2 35

6.86 0,00105 1 0.00720 6 0.00825 7 0.04947 36

6. 87 0,00104 1 0.00714 6 0.00818 7 0.04911 34

6.88 0.00103 1 0.00708 6 0.00811 7 0.04877 35

6.89 0.00102 1 0.00702 6 0.00804 7 0.04842 34

6.90 0.00101 1 0.00696 6 0.00797 7 0.04808 34

6,91 0.00100 1 0.00690 6 0.00790 7 0.04774 34

6.92 0.00099 1 0,00684 6 0.00783 7 0.04740 34

6, 93 0.00098 1 0.00678 5 0.00776 6 0.04706 33

6,94 0.00097 1 0. 00673 6 0.00770 7 0.04673 34

6,95 0.00096 1 0.00667 6 0.00763 7 0.04639 33

6,96 0.00095 1 0,00661 5 0.00756 6 0.04606 32

6,97 0.00094 1 0,00656 6 0.00750 7 0.04574 33

6.98 0.00093 1 0,00650 6 0.00743 6 0.04541 32

6.99 0.00092 1 0, 00644 5 0.00737 7 0.04509 33

7. 00 0.00091 0,00639 0.00730 0,04476

115
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

— \r —rjQ;/n.j. A fHO-Eol /rT s°/r A c°/r

p

A

7.00 0.00091 ' 1 0.00639 6 0,00730 6 0 .04476 32

7.01 0.00090 1 0.00633 5 0.00724 7 0 .04444 31

7.02 0 .00089 0 0.00628 5 0.00717 6 0 .04413 32

7,03 0.00089 1 0.00623 6 0.00711 6 0 .04381 31

7.04 0.00088 1 0.00617 5 0.00705 6 0 .04350 31

7.05 0.00087 1 0. 00612 5 0.00699 6 0 .04319 31

7, 06 0.00086 1 0.00607 5 0.00693 6 0 .04288 31

7,07 0.00085 1 0.00602 6 0, 00687 6 0 ,04257 30

7.08 0.00084 1 0.00596 5 0.00681 6 0 .04227 31

7.09 0.00083 0 0.00591 5 0.00675 6 0 .04196 30

7. 10 0.00083 1 0.00586 5 0.00669 6 0 ,04166 30

7.11 0,00082 1 0.0058 1 5 0,00663 6 0 ,04136 29

7. 12 0.00081 1 0.00576 5 0.00657 6 0 .04107 30

7.13 0.00080 1 0.00571 5 0.00651 5 0 .04077 29

7. 14 0,00079 0 0.00566 4 0.00646 6 0 .04048 29

7.15 0 ,00079 1 0.00562 5 0.00640 5 0 .04019 29

7. 16 0.00078 1 0. 00557 5 0.00635 6 0 ,03990 29

7.17 0.00077 1 0,00552 5 0.00629 6 0 .03961 28

7. 18 0,00076 1 0.00547 4 0.00623 5 0 .03933 29

7. 19 0.00075 0 0.00543 5 0.00618 5 0 .03904 28

7.20 0,00075 1 0.00538 5 0.00613 6 0 .03876 28

7.21 0,00074 1 0.00533 4 0.00607 5 0 .03848 28

7.22 0,00073 1 0.00529 5 0.00602 5 0 .03820 27

7.23 0,00072 0 0.00524 4 0.00597 6 0 .03793 28

7.24 0,00072 1 0.00520 5 0.00591 5 0 ,03765 27

7.25 0,00071 1 0.00515 4 0.00586 5 0 ,03738 27

7.26 0,00070 0 0.00511 5 0.00581 5 0 ,03711 27

7.27 0,00070 1 0, 00506 4 0.00576 5 0 ,03684 26

7,28 0,00069 1 0. 00502 4 0.00571 5 0 ,03658 27

7. 29 0,00068 0 0. 00498 5 0.00566 5 0 ,03631 26

7.30 0,00068 1 0.00493 4 0.00561 5 0 ,03605 26

7.31 0,00067 1 0,00489 4 0.00556 5 0 .03579 26

7.32 0,00066 0 0. 00485 4 0.00551 5 0 ,03553 26

7.33 0.00066 1 0,00481 4 0,00546 4 0 ,03527 26

7.34 0,00065 1 0.00477 4 0.00542 5 0 ,03501 25

7.35 0.00064 0 0. 00473 4 0.00537 5 0 ,03476 25

7. 36 0.00064 1 0.00469 4 0.00532 4 0 .03451 25

7.37 0.00063 1 0.00465 4 0.00528 5 0 .03426 25

7. 38 0.00062 0 0.00461 4 0.00523 5 0 .03401 25

7.39 0.00062 1 0.C0457 4 0.00518 4 0 ,03376 25

7.40 0.00061 0 0. 00453 4 0.00514 5 0 .0335 1 24

7.41 0,00061 1 0. 00449 4 0.00509 4 0 .03327 24

7.42 0.00060 1 0, 00445 4 0.00505 5 0 ,03303 24

7.43 0.00059 0 0.00441 4 0.00500 4 0 ,03279 24

7.44 0.00059 1 0.00437 4 0.00496 4 0 .03255 24

7,45 0 ,00058 0 0.00433 3 0.00492 5 0 .0323 1 24

7.46 0.00058 1 0.C0430 4 0.00487 4 0 .03207 23

7.47 0,00057 1 0.00426 4 0.00483 4 0 .03184 23

7.48 0.00056 0 0.C0422 3 0.00479 4 0 ,03161 24

7.49 0.00056 1 0. C0419 4 0.00475 5 0 .03137 22

7.50 0 ,00055 0, 00415 0.00470 0 .03115

116
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

X -(f°-e°)/rt A (h°-e°)/rt A S°/R A co/r

P

A

7.50 0.00055 0 0, 00415 4 0.00470 4 0.03115 23

7.51 0.00055 1 0,00411 3 0.00466 4 0.03092 23

7.52 0.00054 0 0,00408 4 0.00462 4 0.03069 22

7.53 0.00054 1 0.00404 3 0.00458 4 0.03047 23

7. 54 0.00053 0 0.00401 4 0.00454 4 0.03024 22

7.55 0.00053 1 0.00397 3 0.00450 4 0.03002 22

7.56 0.00052 0 0.00394 3 0.00446 4 0.02980 22

7.57 0.00052 1 0.00391 4 0.00442 4 0.02958 22

7.58 0.00051 0 0. 00387 3 0.00438 4 0.02936 21

7.59 0.00051 1 0.00384 3 0.00434 3 0.02915 21

7.60 0.00050 0 0,00381 4 0.00431 4 0.02894 22

7.61 0.00050 1 0.00377 3 0.00427 4 0.02872 21

7. 62 0.00049 0 0.00374 3 0.00423 4 0.02851 21

7.63 0.00049 1 0.00371 3 0.00419 3 0.02830 21

7.64 0.00048 0 0. 00368 4 0.00416 4 0.02809 20

7. 65 0.00048 1 0. 00364 3 0.00412 4 0.02789 21

7. 66 0.00047 0 0.00361 3 0.00408 3 0.02768 20

7.67 0.00047 1 0.00358 3 0.00405 4 0.02748 21

7.68 0.00046 0 0.00355 3 0.00401 3 0.02727 20

7.69 0,00046 1 0.00352 3 0,00398 4 0.02707 20

7.70 0.00045 0 0.00349 3 0.00394 3 0.02687 20

7.71 0.00045 1 0.00346 3 0.00391 4 0.02667 19

7.72 0 ,00044 0 0.00343 3 0.00387 3 0.02648 20

7.73 0,00044 0 0.00340 3 0.00384 4 0.02628 19

7.74 0,00044 1 0.00337 3 0.00380 3 0.02609 20

7.75 0,00043 0 0.00334 3 0.00377 3 0.02589 19

7. 76 0,00043 1 0,00331 3 0.00374 4 0.02570 19

7.77 0,00042 0 0.00328 3 0.00370 3 0.02551 19

7.78 0,00042 1 0.00325 2 0.00367 3 0.02532 18

7.79 0,00041 0 0.00323 3 0.00364 3 0.02514 19

7.80 0,00041 0 0.00320 3 0.00361 3 0.02495 19

7.81 0,00041 1 0.00317 3 0.00358 4 0.02476 18

7.82 0,00040 0 0.00314 3 0.00354 3 0.02458 18

7.83 0 ,00040 1 0.00311 2 0.00351 3 0.02440 18

7.84 0 ,00039 0 0.00309 3 0.00348 3 0.02422 18

7.85 0,00039 0 0.00306 3 0.00345 3 0.02404 18

7.86 0 .00039 1 0. 00303 2 0.00342 3 0.02386 18

7. 87 0,00038 0 0.00301 3 0.00339 3 0.02368 18

7.88 0,00038 1 0.00298 2 0.00336 3 0.02350 17

7.89 0.00037 0 0.00296 3 0.00333 3 0.02333 17

7.90 0.00037 0 0,00293 3 0.00330 3 0.02316 18

7.91 0.00037 1 0.00290 2 0.00327 3 0.02298 17

7.92 0.00036 0 0.00288 3 0.00324 3 0.0228

17

7.93 0.00036 0 0.00285 2 0.00321 2 0.02264 17

7.94 0.00036 1 0.00283 3 0.00319 3 0.02247 17

7.95 0.00035 0 0.00280 2 0,00316 3 0.02230 16

7.96 0 .00035 0 0.00278 2 0,00313 3 0.02214 17

7.97 0.00035 1 0. 00276 3 0,00310 3 0.02197 16

7.98 0,00034 0 0.00273 2 0,00307 2 0.0218 1 16

7.99 0.00034 0 0.00271 3 0.00305 3 0.02165 17

8.00 0,00034 0.00268 0.00302 0.02148

117
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z _(Fo_eo)/rt

0

A (H °-eo)/rt

0

A s°/r A c°/r

F

A

8.00 0.00034 1 0. 00268 2 0.00302 3 0 .02148 16

8.01 0.00033 0 0. 00266 2 0.00299 2 0 .02132 16

8.02 0.00033 0 0« 00264 2 0.00297 3 0 .02116 15

8. 03 0,00033 1 0. 00261 3 0.00294 3 0 .02101 16

8.0^ 0.00032 0 0. 00259 2 0.00291 2 0 .02085 16

8.05 0.00032 0 0. 00257 2 0.00289 3 0 .02069 15

8.06 0.00032 1 0. 00255 3 0.00286 2 0 .02054 16

8.07 0.00031 0 0. 00252 2 0.00284 3 0 .02038 15

8.08 0.00031 0 0. 00250 2 0.00281 2 0 .02023 15

8,09 0.00031 1 0. 00248 2 0.00279 3 0 .02008 15

8.10 0.00030 0 0. 00246 2 0.00276 2 0 .01993 15

8. 11 0.00030 0 0. 00244 2 0.00274 3 0 .01978 15

8. 12 0.00030 1 0. 00242 2 0.00271 2 0 .01963 15

8. 13 0.00029 0 0. 00240 3 0.00269 2 0 .01948 14

8. 14 0.00029 0 0. 00237 2 0.00267 3 0 .01934 15

8. 15 0.00029 0 0. 00235 2 0.00264 2 0 .01919 14

8. 16 0.00029 1 0. 00233 2 0.00262 2 0 .01905 15

8. 17 0,00028 0 0, 00231 2 0.00260 3 0 .01890 14

8. 18 0,00028 0 0. 00229 2 0.00257 2 0 .01876 14

8. 19 0,00028 1 0. 00227 2 0.00255 2 0 .01862 14

8.20 0,00027 0 0. 00225 2 0.00253 2 0 .01848 14

8.21 0,00027 0 0. 00223 2 0.00251 3 0 .01834 14

8.22 0,00027 0 0. 00221 2 0.00248 2 0 .01820 14

8.23 0,00027 1 0. 00219 2 0.00246 2 0 .01806 13

8. 24 0.00026 0 0. 00217 1 0.00244 2 0 .01793 14

8.25 0.00026 0 0. 00216 2 0.00242 2 0 .01779 13

8.26 0.00026 0 0. 00214 2 0.00240 3 0 .01766 14

8.27 0.00026 1 0. 00212 2 0.00237 2 0 ,01752 13

8.28 0.00025 0 0* 00210 2 0.00235 2 0 ,01739 13

8.29 0.00025 0 0* 00208 2 0.00233 2 0 .01726 13

8. 30 0.00025 0 0. 00206 1 0.00231 2 0 .01713 13

8.31 0.00025 1 0. 00205 2 0.00229 2 0 .01700 13

8, 32 0.00024 0 0* 00203 2 0.00227 2 0 ,01687 13

8.33 0.00024 0 0* 00201 2 0.00225 2 0 .01674 12

8. 34 0.00024 0 0. 00199 2 0.00223 2 0 ,01662 13

8.35 0.00024 1 0. 00197 1 0.00221 2 0 ,01649 13

8.36 0.00023 0 0. 00196 2 0.00219 2 0 ,01636 12

8. 37 0.00023 0 0. 00194 2 0.00217 2 0 ,01624 12

8.38 0.00023 0 0. 00192 1 0.00215 2 0 ,01612 12

8.39 0.00023 1 0* 00191 2 0.00213 2 0 ,01600 13

8.40 0.00022 0 0. 00189 2 0.00211 1 0 •01587 12

8.41 0.00022 0 0. 00187 1 0.00210 2 0 .01575 12

8.42 0.00022 0 0. 00186 2 0.00208 2 0 ,01563 12

8.43 0.00022 0 0. 00184 2 0.00206 2 0 ,01551 11

8.44 0.00022 1 0. 00182 1 0.00204 2 0 ,01540 12

8.45 0.00021 0 0. 00181 2 0.00202 2 0 ,01528 12

8. 46 0.00021 0 0, 00179 1 0.00200 1 0 ,01516 11

8.47 0,00021 0 0* 00178 2 0.00199 2 0 ,01505 12

8.48 0.00021 0 0. 00176 1 0.00197 2 0 ,01493 11

8.49 0.00021 1 0. 00175 2 0.00195 2 0 ,01482 11

8.50 0.00020 0. 00173 0.00193 0 ,01471

118
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

T -(f°-e°)/rt A (h°-e°)/rt A s°/r A c°/r

P

A

8.50 0,00020 0 0.00173 2 0,00193 1 0.01471 12

8.51 0,00020 0 0.00171 1 0.00192 2 0.01459 11

8.52 0,00020 0 0.00170 2 0,00190 2 0.01448 11

8.53 0.00020 0 0.00168 1 0,00188 1 0.01437 11

8.54 0,00020 1 0.00167 1 0,00187 2 0,01426 11

8,55 0,00019 0 0.00166 0,00185 2 0,01415 10

8.56 0,00019 0 0.00164 1 0,00183 1 0,01405 11

8.57 0,00019 0 0.00163 0,00182 2 0,01394 11

8.58 0,00019 0 0.00161 1 0,00180 2 0.01383 10

8.59 0,00019 1 0.00160 0,00178 1 0,01373 11

8.60 0.00018 0 0.00158 ^ 0,00177 2 0,01362 10

8.61 0.00018 0 0.00157 1 0,00175 1 0,01352 11

8.62 0.00018 0 0.00156 0,00174 2 0,01341 10

8.63 0.00018 0 0.00154 1 0,00172 1 0,01331 10

8.64 0.00018 0 0.00153 1 0,00171 2 0,01321 10

8.65 0.00018 1 0,00152 0.00169 1 0,01311 10

8.66 0.00017 0 0,00150 1 0,00168 2 0,01301 10

8.67 0.00017 0 0,00149 1 0,00166 1 0,01291 10

8.68 0.00017 0 0,00148 0,00165 2 0,01281 10

8.69 0.00017 0 0,00146 1 0.00163 1 0,01271 10

8.70 0.00017 1 0.00145 0.00162 2 0,01261 9

8.71 0.00016 0 0.00144 0.00160 1 0,01252 10

8.72 0.00016 0 0.00142 1 0.00159 2 0,01242 10

8.73 0.00016 0 0.00141 1 0.00157 1 0.01232 9

8.74 0.00016 0 0.00140 1 0.00156 1 0.01223 9

8.75 0.00016 0 0.00139 0.00155 2 0.01214 10

8.76 0.00016 0 0.00137 1 0.00153 1 0.01204 9

8. 77 0,00016 1 0. 00136 1 0.00152 2 0.01195 9

8.78 0,00015 0 0.00135 1 0.00150 1 0.01186 9

8.79 0,00015 0 0.00134 0.00149 1 0.01177 9

8.80 0,00015 0 0.00133 0.00148 2 0.01168 9

8.81 0,00015 0 0.00131 1 0.00146 1 0.01159 9

8.82 0.00015 0 0.00130 1 0.00145 1 0.01150 9

8.83 0.00015 1 0.00129 1 0.00144 1 0.01141 9

8.84 0.00014 0 0.00128 1 0.00143 2 0.01132 9

8.85 0.00014 0 0.00127 ^ 0.00141 1 0.01123 8

8.86 0.00014 0 0.00126 1 0.00140 1 0,01115 9

8.87 0.00014 0 0.00125 1 0.00139 2 0,01106 8

8.88 0.00014 0 0.00124 0.00137 1 0,01098 9

8.89 0.00014 0 0.00122 1 0.00136 1 0.01089 8

8.90 0.00014 0 0.00121 0.00135 1 0,01081 9

8.91 0. 00014 1 0. 00120 1 0.00134 1 0.01072 8 8.92 0.00013 0 0.00119 1 0.00133 2 0,01064 8 8.93 0.00013 0 0.00118 1 0,00131 1 0,01056 8

8.94 0.00013 0 0.00117 1 0,00130 1 0,01048 9

8.95 0.00013 0 0.00116 1 0,00129 1 0.01039 8

8.96 0,00013 0 0.00115 0,00128 1 0.01031 8

8.97 0,00013 0 0.00114 0,00127 1 0,01023 7 8.98 0.00013 1 0.00113 0,00126 1 0.01016 8

8,99 0.00012 0 0.00112 0,00125 2 0.01008 8

9.00 0.00012 0,00111 0,00123 0.01000

119
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodjmamic Functions for Values of X = hcv/kT

X -(f°-e°)/rt (h°-e°)/rt A S°/R & c°/r

p

A

9.00 0.00012 0 0.00111 1 0.00123 1 0,01000 8

9.01 0.00012 0 0.00110 1 0.00122 1 0,00992 8

9.02 0,00012 0 0,00109 1 0.00121 1 0.00984 7

9.03 0.00012 0 0.00108 1 0.00120 1 0.00977 8

9,04 0.00012 0 0.00107 1 0.00119 1 0.00969 7 9.05 0.00012 0 0.00106 0.00118 1 0.00962 8

9.06 0.00012 0 0.00105 1 0.00117 1 0.00954 7

9.07 0.00012 1 0.00104 1 0.00116 1 0.00947 8

9.08 0.00011 0 0.00103 0.00115 1 0.00939 7 9.09 0.00011 0 0.00103 1 0.00114 1 0.00932 7 9.10 0.00011 0 0.00102 0.00113 1 0.00925 7

9.11 0.00011 0 0.00101 1 0.00112 1 0,00918 7 9. 12 0.00011 0 0.00100 1 0.00111 1 0.00911 8

9. 13 0.00011 0 0.00099 1 0.00110 1 0.00903 7

9, 14 0.00011 0 0,00098 1 0,00109 1 0.00896 7

9.15 0.00011 0 0.00097 0,00108 1 0,00889 6

9. 16 0.00011 1 0.00096 1 0,00107 1 0,00883 7

9. 17 0.00010 0 0.00095 0,00106 1 0,00876 7 9.18 0.00010 0 0.00095 1 0,00105 1 0,00869 7

9. 19 0.00010 0 0.00094 1 0,00104 1 0,00862 7

9.20 0.00010 0 0.00093 0.00103 1 0,00855 6

9.21 0.00010 0 0,00092 1 0.00102 1 0.00849 7 9. 22 0.00010 0 0.00091 0.00101 1 0.00842 6

9.23 0.00010 0 0.00091 1 0.00100 1 0.00836 7

9. 24 0.00010 0 0.00090 1 0.00099 0 0.00829 6

9.25 0,00010 0 0.00089 0.00099 1 0.00823 7

9.26 0.00010 1 0.00088 1 0.00098 1 0,00816 6

9.27 0.00009 0 0.00087 0.00097 1 0,00810 7

9.28 0.00009 0 0.00087 1 0.00096 1 0,00803 6

9.29 0.00009 0 0.00086 1 0.00095 1 0.00797 6

9.30 0,00009 0 0.00085 ^ 0.00094 1 0.00791 6

9.31 0.00009 0 0,00084 0.00093 1 0.00T85 6

9.32 0.00009 0 0.00084 1 0.00092 0 0.00779 7 9.33 0,00009 0 0,00083 1 0.00092 1 0.00772 6

9.34 0.00009 0 0,00082 1 0.00091 1 0.00766 6

9. 35 0.00009 0 0.00081 0.00090 1 0.00760 6

9. 36 0,00009 0 0.00081 1 0.00089 1 0.00754 5 9. 37 0.00009 1 0.00080 1 0.00088 0 0.00749 6

9.38 0.00008 0 0.00079 1 0.00088 1 0.00743 6

9.39 0.00008 0 0.00078 0.00087 1 0.00737 6

9.40 0,00008 0 0,00078 0.00086 1 0.00731 6

9.41 0.00008 0 0.00077 1 0.00085 0 0,00725 5 9.42 0,00008 0 0,00076 0.00085 1 0.00720 6

9,43 0,00008 0 0.00076 1 0.00084 1 0,00714 6

9.44 0,00008 0 0.00075 1 0.00083 1 0.00708 5 9.45 0,00008 0 0,00074 0.00082 1 0,00703 6

9.46 0,00008 0 0.00074 0.00081 0 0,00697 5 9.47 0,00008 0 0,00073 0.00081 1 0.00692 6

9.48 0,00008 0 0.00072 0 0,00080 1 0.00686 5 9.49 0.00008 1 0.00072 1 0,00079 0 0,0068 1 5 9.50 0.00007 0. 00071 0,00079 0.00676

120
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

z -(f°-e°)/rt A (h°-e°)/rt A A

p

A

9.50 0.00007 0 0.00071 1 0.00079 1 . 0.00676 6

9.51 0.00007 0 0.00070 0 0.00078 1 0.00670 5 9.52 0,00007 0 0.00070 1 0.00077 1 0.00665 5 9.53 0.00007 0 0.00069 0 0.00076 0 0.00660 5 9.54 0.00007 0 0.00069 1 0.00076 1 0,00655 6

9.55 0.00007 0 0.00068 1 0.00075 1 0.00649 5

9. 56 0.00007 0 0.00067 0 0.00074 0 0.00644 5 9.57 0.00007 0 0.00067 1 0.00074 1 0.00639 5

9.58 0.00007 0 0.00066 0 0.00073 1 0.00634 5 9.59 0.00007 0 0.00066 1 0.00072 0 0.00629 5 9.60 0.00007 0 0.0C065 1 0.00072 1 0.00624 5

9.61 0.00007 0 0.00064 0 0.00071 0 0.00619 5 9.62 0.00007 0 0,00064 1 0.00071 1 0.00614 4

9.63 0.00007 0 0.00063 0 0.00070 1 0.00610 5 9.64 0.00007 1 0. 00063 1 0.00069 0 0.00605 5 9.65 0.00006 0 0.00062 0 0.00069 1 0.00600 5

9.66 0.00006 0 0.00062 1 0.00068 1 0.00595 4

9.67 0.00006 0 0.00061 0 0.00067 0 0.00591 5 9.68 0.00006 0 0.00061 1 0.00067 1 0.00586 5 9.69 0.00006 0 0. 00060 1 0.00066 0 0.00581 4

9.70 0.00006 0 0.00059 0 0.00066 1 0.00577 5

9.71 0.00006 0 0.00059 1 0.00065 1 0.00572 4

9.72 0.00006 0 0.00058 0 0.00064 0 0.00568 5 9.73 0.00006 0 0.00058 1 0.00064 1 0.00563 4

9. 74 0.00006 0 0,00057 0 0.00063 0 0.00559 5 9.75 0.00006 0 0.00057 1 0.00063 1 0.00554 4

9.76 0.00006 0 0.00056 0 0.00062 0 0.00550 5 9.77 0.00006 0 0.00056 1 0.00062 1 0.00545 4

9. 78 0.00006 0 0.00055 0 0.00061 1 0.00541 4

9.79 0.00006 0 0.00055 1 0.00060 0 0.00537 4

9.80 0.00006 1 0.00054 0 0.00060 1 0.00533 5

9.81 0,00005 0 0.00054 1 0.00059 0 0.00528 4

9.82 0.00005 0 0.00053 0 0.00059 1 0.00524 4

9.83 0,00005 0 0.00053 1 0.00058 0 0.00520 4

9. 84 0,00005 0 0.00052 0 0.00058 1 0.00516 4

9.85 0,00005 0 0.00052 1 0.00057 0 0.005 12 4

9.86 0,00005 0 0.00051 0 0.00057 1 0.00508 4

9.87 0,00005 0 0.00051 0 0.00056 0 0.00504 4

9. 88 0.00005 0 0. 0005 1 1 0.00056 1 0.00500 4

9.89 0.00005 0 0.00050 0 0.00055 0 0.00496 4

9.90 0.00005 0 0.00050 1 0.00055 1 0.00492 4

9.91 0.00005 0 0.00049 0 0.00054 0 0.00488 4

9.92 0,00005 0 0.00049 1 0.00054 1 0.00484 4

9.93 0,00005 0 0,00048 0 0.00053 0 0.00480 4

9.94 0,00005 0 0.00048 1 0.00053 1 0.00476 3

9.95 0.00005 0 0.00047 0 0.00052 0 0.00473 4

9.96 0.00005 0 0.00047 0 0.00052 1 0.00469 4

9.97 0,00005 0 0.00047 1 0.00051 0 0.00465 4

9.98 0,00005 0 0.00046 0 0.00051 1 0.00461 3

9. 99 0,00005 0 0.00046 1 0.00050 0 0.00458 4

10.00 0,00005 0.00045 0.00050 0.00454

638951 O - 62 - 9 121
Table I Harmonic Oscillator Contributions (in dimensionless form) to the

Thermodynamic Functions for Values of X = hcv/kT

A

{ IPO i?o^ /t?t A f'HO-'P'o") \n. —iLqJ//RTn.1 s°/R c°/r

p

A

10.0 0.00005 1 0.00045 7 0,00050 8 0.00454 67

10.2 0.00004 1 0.00038 6 0.00042 7 0.00387 58

10.4 0.00003 1 0.00032 4 0.00035 6 0.00329 49

10.6 0.00002 0 0.00026 4 0.00029 5 0.00280 42

10.8 0.00002 0 0.00022 4 0.00024 4 0.00238 36

11.0 0.00002 0 0 .00018 3 0.00020 3 0.00202 30

11.2 0.00001 1 0 .00015 2 0.00017 3 0.00 172 27

11.4 0.00001 0 0.00013 2 0.00014 2 0.00145 22

11.6 0.00001 0 0.00011 2 0.00012 2 0.00123 19

11.8 0.00001 0 0.00009 2 0.00010 2 U. 00104 16

12.0 0.00001 0 0.00007 1 0.00008 1 0.00088 13

12.2 0,00001 1 0 .00006 1 0.00007 1 0.00075 12

12.4 0.00000 0 0.00005 1 0.00006 1 0.00063 9

12.6 C. 00000 0 0.00004 0 0.00U05 1 0.00054 9

12.8 0.00000 0 0.00004 0 0.00004 1 0.00045 7

13.0 0.00000 0 0.000C3 1 0.00003 u 0.00038 6

13.2 0.00000 0 0.00002 0 0.00003 1 0.00032 5 13.4 0.00000 0 0.00002 0 0.00002 0 0.00027 4

13.6 0.00000 0 0.00002 1 0.00002 1 0.00023 4

13.8 0.00000 0 0.00001 0 0.00001 0 0.00019 3

14.0 0.00000 0 0.00001 0 0.00001 0 0.00016 2 14.2 0.00000 0 0.00001 0 0,00001 0 0,00014 2 14.4 0.00000 0 0.00001 0 0,00001 0 0.00012 2 14.6 0.00000 0 0.00001 0 0.00001 0 0.00010 2 14.8 0.00000 0 0.00001 0 0,00001 0 0.00008 1

15.0 0.00000 0 0 .00001 1 0.00001 0 0.00007 1 15.2 o.oocoo 0 0.00000 0 0. 00000 1 0.00006 1 15.4 0.00000 0 0 . 00000 0 0. 0 0 000 0 0.00005 1 15.6 0.00000 c 0 .00000 0 0.00000 0 0.00004 1 15.8 0.00000 0 .00000 o.oocoo 0.00003

16.0 C. 00000 0 .00000 0.00000 0.00002

122
Table II.

Harmonic Oscillator Contributions

to the Thermodynamic Functions

(in units of calories, moles, °K)

V

cm

-1

Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

-(f°-e°)/t s° c°

p

-(F°-Eo)/T s° eg -(F°-Eo)/T s° c°

p cm

T=273. 15 T=298. 15 r=400.

100 1 .77430 3 .28384 1 .94185 1.90812 3 .45423 1 .94905 2 .37854 4 .02970 1 .96588 100

110 1 .63244 3 .09920 1 .93250 1.76264 3 .26883 1 .94116 2 .22264 3 .84254 1 .96145 110

120 1 .50662 2 .93148 1 .92231 1.63327 3 .10029 1 .93256 2 .08302 3 .67207 1 .95660 120

130 1 . 39420 2 .77804 1 .91131 1.51 737 2 .94596 1 .92326 1 .95703 3 .51567 1 .95135 130

140 1 .29312 2 .63682 1 .89951 1.41288 2 .80380 1 .91328 1 .84262 3 .37126 1 .94570 140

150 1 .20175 2 .50620 1 .88694 1.31818 2 .67215 1 .90263 1 .73817 3 .23722 1 .93966 150

160 1 .11880 2 . 38484 1 . 87361 1 .23196 2 .54972 1 .89132 1 .64235 3 .11224 1.93322 160

170 1 .04317 2 .27167 1 .85954 1.15314 2 .43541 1 .87937 1 .55411 2 .99525 1 .92639 170

180 0 .97400 2 . 16580 1 .84476 1.08083 2 .32834 1 .86680 I .47254 2 .88534 1 .91918 180

190 0 .91053 2 .06647 1 .82929 I .01430 2 .22776 1 .85362 1 .39690 2 .78178 1 .91160 190

200 0.85213 1 .97304 I .81315 0.95291 2 .13303 1 .83984 1 .32657 2 .68392 I .90364 200

210 0 . 79827 I .88498 1 .79637 0.89612 2 .04361 1 .82549 1 .26100 2 .59125 1 .89532 210

220 0 . 74849 1 .80182 1 .77896 0.84348 I .95903 1 .81059 1 .19973 2 .50327 1 .88664 220

230 0 . 70239 1 .72313 1 . 76096 0.79458 1 . 87888 1 .79514 1 . 142 37 2 .41961 1 .87760 230

240 0 .65962 1 .64858 1 .74240 0.74908 I .80282 1 .77918 1 .08856 2 .33989 1 .86822 240

250 0 .61988 1 .57783 1 . 72329 0.70668 1 .73052 I .76272 1 .03800 2 .26383 1 .85850 250

260 0 .58290 1 .51063 1 .70367 0.66709 1 .66171 1 .74578 0 .99041 2 . 19113 1 .84845 260

270 0 .54844 1 .44670 1 .68356 0.63009 1 .59615 I .72838 0 .94556 2 .12156 1 .83808 270

280 0 .51630 1 .38585 1 .66299 0.59547 1 .53362 1 .71055 0 .90323 2 .05491 1 .82738 280

290 0 .48627 1 .32786 1 .64199 0.56302 1 .47391 1 .69230 0 .86324 1 .99097 1 .81638 290

300 0 .45820 1 .27255 1 .62058 0.53259 1 .41685 1 .67365 0 .82540 1 .92958 1 .80507 300

310 0 .43193 1 .21977 1 .59880 0.50402 1 .36228 I .65462 0 . 78958 1 .87059 1 .79346 310

320 0 .40733 1 .16936 1 .57667 0.47718 1 .31005 1 .63525 0 .75562 I .81383 1 .78157 320

330 0 .38427 1 .12118 1 .55421 0.45193 1 . 26004 1 .61554 0 .72340 1 .75920 1 .76941 330

340 0 . 36263 1 ,07512 1 . 53147 0.42816 1 .21210 1 .59552 0 .69280 1 .70656 1 .75697 340

350 0 .34233 1 .03106 1 . 50846 0.40578 1 .16615 1 .57521 0 .66373 1 .65581 1 .74427 350

360 0 .32325 0 .98889 1 .48521 0.38469 1 .12206 1 .55463 0 .63608 1 .60685 1 .73131 360

370 0 . 30532 0 .94852 1 .46175 0.36479 I .07975 1 .53381 0 .60977 1 .55960 1 .71811 370

380 0 .28846 0.90985 1.43810 0.34601 I .03912 1 . 51276 0 .58471 1 .51396 1 .70467 380

390 0 .27259 0 .87280 1 .41430 0.32829 1 .00010 1 .49151 0 .56084 1 .46985 1 .69101 390

400 0 .25766 0 .83729 1 .39036 0.31154 0 .96261 1 .47008 0 .53808 1 .42721 1 .67713 400

410 0 .24359 0 .80326 1 .36631 0.29571 0 .92657 1 .44848 0 .51636 1 .38597 1 .66303 410

420 0 .23034 0 .77062 1 .34218 0.28075 0.89193 1 .42673 0 .49564 1 .34607 1 .64874 420

430 0 .21784 0 .73932 1 . 3180C 0.26659 0 .85861 1 .40487 0 .47585 1 .30744 1 .63425 430

440 0 .20607 0 .70930 1 .29377 0.25320 0 .82657 1 . 38290 0 .45694 1 .27004 1 .61957 440

450 0 . 19496 0 .68050 1 .26954 0.24051 0 .79574 I .36085 0 .43887 1 .23381 1 .60473 450

460 0 .18447 0 .65286 1 .24531 0.22851 0 .76607 1 .33873 0 .42160 1 . 19870 1 .58971 460

470 0 . 17458 0 .62634 1 .22112 0.21713 0.73752 1 .31657 0 .40507 1 .16468 1 .57454 470

480 0 .16524 0 .60088 1 . 19697 0.20635 0 .71003 1 .29437 0 .38926 1 .13169 1 .55922 480

490 0 . 15642 0 .57645 1 .17290 0. 19613 0 .68357 1 .27217 0 .37413 1 .09970 1 .543 7 7 490

500 0 . 14808 0 .55299 1 .14892 0.18644 0 .65809 1 .24997 0 . 35964 1 .06867 1 .52818 500

510 0 .14021 0 .53048 1 . 12506 0.17726 0 .63356 1 .22780 0 .34576 I .03856 1 .51247 510

520 0 .13277 0 .50886 1 . 10132 0. 16854 0 .60993 1 .20566 0 .33246 1 .00934 1 .49664 520

530 0 . 12574 0 .48811 1 .07772 0.16027 0.58717 1 .18358 0 .31971 0 .98099 1 .48071 530

540 0 .11909 0.46818 1 .05429 0.15242 0.56526 1 .16157 0 .30750 0.95346 1 .46468 540

550 0 .11280 0 .44905 1 .03104 0.14497 0.54414 1 .13964 0 .29578 0 .92673 1 .44857 550

560 0 . 10685 0 .43068 I .00797 0. 13790 0 . 52380 I .11782 0 .28454 0 .90077 1 .43238 560

570 0 .10123 0 .41304 0 .98512 0.13119 0 .50421 I .09610 0 .27376 0 .87556 I .41611 570

580 0 .09591 0 .39610 0 .96248 0.12481 0 .48534 1 .07451 0 .26342 0 .85108 1 .39979 580

590 0 .09087 0 .37984 0 .94008 0.11875 0 .46715 1 .05306 0 .25349 0 .82729 1 .38340 590

125
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

cm

-1

{f°-e°)/t s° CO

p

-(f°-e°)/t s° c°

p (f°-e°)/t s° c°

p cm

T=273. 15 T=298. 15 T=400.

600 0.08611 0.36423 0.91791

610 0.08160 0.34924 0.89601

620 0.07733 0.33484 0.87437

630 0.07329 0.32102 0.85300

640 0.06946 0.30776 0.83191

0.11299 0.44963 1.03176

0.10752 0.43275 1.01061

0.10232 0.41649 0.98964

0.09738 0.40082 0.96885

0.09269 0.38572 0.94826

0.24396 0.30417 1.36698 600

0.23482 0.78172 1.35051 610

0.22603 0.75989 1.33401 620

0.21759 0.73868 1-31748 630

0.20948 0.71806 1.30094 640

650 0. 06584 0. 29502 0. 81112 0. 08822 0. 37118 0. 92786 0. 20169 0. 69802 1 .28440 650

660 0. 06240 0- 28279 0. 79062 0. 08398 0. 35717 0. 90768 0. 19420 0. 67853 1 .26785 660

670 0. 05915 0. 27105 0. 77043 0. 07994 0. 34367 0. 88771 0. 18701 0. 65959 1 .25130 670

680 0. 05607 0. 25979 0. 75055 0. 07610 0. 33066 0. 86797 0. 18009 0. 64117 1 .23477 680

690 0. 05316 0. 24897 0. 73099 0. 07245 0.31813 0. 84846 0. 17345 0. 62327 1 .21825 690

700 0. 05040 0. 23859 0. 71175 0. 06897 0. 30606 0. 82918 0. 16705 0. 60586 1 .20177 700

710 0. 04778 0. 22863 0. 69283 0. 06567 0. 29444 0. 8L016 0. 16090 0. 58893 1 .18531 710

720 0. 04530 0. 21907 0. 67424 0. 06253 0. 28324 0. 79138 0. 15499 0. 57246 1 . 16889 720

730 0. 04295 0. 20990 0. 65598 0. 05954 0. 27245 0. 77286 0. 14930 0. 55645 1 .15252 730

740 0. 04072 0. 201C9 0. 63806 0. 05669 0. 26206 0. 75460 0. 14383 0. 54088 1 .13619 740

750 0 .03861 0. 19265 0. 62047 0. 05398 0. 25205 0. 73661 0. 13857 0.52574 I .11993 750

760 0 .03661 0. 18454 0. 60322 0. 05141 0. 24241 0. 71888 0. 13351 0.51102 1 .10372 760

770 0 .03472 0. 17677 0.58631 0. 04896 0. 23313 0. 70142 0. 12863 0.49669 1 .08758 770

780 0 .03292 0. 16931 0. 56973 0. 04662 0. 22419 0- 68424 0. 12394 0.48276 1 .07151 780

790 0 .03122 0. 16216 0. 55350 0. 04440 0. 21558 0. 66734 0. 11943 0.46921 1 .05553 790

800 0 .02961 0. 15530 0. 53760 0. 04229 0. 20729 0. 65071 0. 11509 0. 45604 1 .03962 800

810 0 .02808 0. 14871 0. 52204 0. 04027 0. 19931 0. 63437 0. 11090 0. 44322 1 .02380 810

820 0 .02663 0. 14240 0. 50682 0. 03836 0. 19162 0. 61831 0. 10688 0. 430 76 1 .00807 820

830 0 .02525 0. 13635 0. 49193 0. 03653 0. 18422 0. 60253 0. 10300 0. 41863 0 .99244 830

840 0 .02395 0. 13054 0. 47738 0. 03480 0. 17710 0. 58703 0. 09927 0. 40684 0 .97691 840

850 0 .02271 0. 12498 0. 46315 0. 03315 0. 17024 0. 57182 0. 09568 0. 39537 0 .96148 850

860 0 .02154 0. 11964 0. 44926 0. 03157 0. 16364 0. 55690 0. 09222 0. 38421 0 .94616 860

870 0 .02043 0. 11453 0. 43569 0. 03007 0. 15729 0. 54225 0. 08889 0. 37336 0 .93096 870

880 0 .01938 0. 10963 0. 42244 0. 02865 0. 15117 0. 52790 0. 08568 0. 36281 0 .91587 380

890 0 .01838 0. 10493 0. 40951 0. 02729 0. 14529 0. 51382 0. 08259 0. 35254 0 .90090 890

900 0. 01743 0. 10042 0.39690 0. 02599 0. 13963 0. 50003 0.07961 0. 34256 0. 88605 900

910 0. 01653 0. 09610 0. 38460 0. 02476 0. 13418 0. 48651 0.07674 0. 33285 0. 87132 910

920 0. 01568 0. 09196 0. 37261 0. 02359 0. 12893 0. 47328 0.07398 0. 32341 0. 85673 920

930 0. 01487 0. 08800 0. 36092 0. 02247 0. 12388 0. 46032 0.07132 0- 31422 0. 84226 930

940 0. 01411 0. 08420 0. 34954 0. 02141 0. 11903 0. 44764 0.06875 0. 30529 0. 82793 940

950 0.01338 0 .08056 0. 33845 0. 02039 0. 11436 0. 43523 0. 06628 0. 29661 0. 81374 950

960 0.01269 0 .07707 0. 32765 0. 01943 0. 10986 0. 42309 0. 06390 0. 28816 0. 79969 960

970 0.01204 0 .07373 0. 31714 0. 01851 0. 10554 0. 41122 0. 06161 0. 27994 0. 78577 970

980 0.01142 0 .07053 0. 30691 0. 01763 0. 10138 0. 39961 0. 05940 0. 27196 0. 77200 980

990 0.01083 0 .06747 0. 29696 0. 01680 0. 09738 0. 38827 0. 05727 0. 26419 0. 75838 990

1000 0.01027 0 .06453 0. 28728 0. 01600 0. 09354 0. 37719 0. 05522 0.25663 0. 74490 1000

1010 0.00975 0 .06172 0. 27787 0. 01525 0. 08984 0. 36637 0. 05324 0.24929 0. 73156 1010

1020 0.00924 0 .05903 0. 26872 0. 01452 0. 08628 0. 35579 0. 05134 0.24214 0. 71838 1020

1030 0.00877 0 .05645 0. 25983 0. 01384 0. 08286 0. 34547 0. 04950 0.23520 0. 70535 1030

1040 0.00832 0 .05398 0. 25120 0. 01318 0- 07957 0. 33540 0. 04773 0.22845 0. 69247 1040

1050 0.00789 0.05162 0. 24281 0. 01256 0.07641 0.32557 0. 04602 0.22188 0. 67975 1050

1060 0.00748 0.04935 0. 23466 0. 01197 0.07337 0.31598 0. 04438 0.21550 0. 66717 1060

1070 0.00710 0.04719 0. 22675 0. 01140 0.07045 0.30663 0. 04280 0.20929 0. 65476 1070

1080 0.00674 0.04511 0. 21908 0. 01086 0.06764 0.29751 0. 04127 0.203^ 0. 64250 1080

1090 0.00639 0.04313 0. 21163 0. 01035 0.06493 0.28862 0. 03979 0. 19739 0. 63039 1090

126
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

V -(f°-eo)/t s° c° -(fo-e°)/t S° CO -(f°-e°)/t s°

^

U P

r \j cm

T=273.15 T=298.15 T=400.

1100 0 .00606 0 .04123 0.20440 0.00986 0. 06234 0.27995 0 .03838 0 . 19169 0.61845 1100

1 110 0 .00575 0 .0394

0. 19740 0. 00940 0. 05984 0.27151 0 .03701 0 . 18615 0 .60666 1110

1120 0 .00545 0 .03767 0. 19060 0 . 00895 0. 05 744 0.26328 0 .03569 0 .18076 0 . 59502 1120

1130 0 .00517 0 . 0 3601 0. 18401 0 . 00853 0. 05514 0.25527 0 .03442 0 . 1 7552 0.58355 1130

1140 0.00491 0 .03441 0. 17162 0.00813 0. 05293 0. 24747 0 .03319 0 . 17043 0 . 57223 1 140

1150 0 .00466 0 .03289 0. 17144 0.00774 0. 05080 0.23987 0 .03201 0 . 16548 0.56108 1150

1160 0 .00442 0 .03143 0. 16544 0.00738 0. 04875 0.23248 0 .03087 0 . 1606 7 0.55007 1160

1170 0 .00419 0 .03004 0.15963 0.00/03 0. 04679 A O O C 1 O 0.22528 0.02977 0

1 c c n o . 1 5599 0. 53923 1 1 "7 r\ 1 I /O

1180 0 .00397 0 .02870 0.1 540

0.006(0 0. 04490 0.21828 0 .02871 0 . 1 54d r\ c o o c c 0 . 5 2 o 05 f 1 O A 1180

1190 0 .00377 0 . 02743 0. 14856 0.006 38 0. 04309 0.21147 0 .02769 0

1 ~j r\ '1 . 1 4 f u 3 0 . D 1 8 U 2 1190

1200 0 .00358 0 .02621 0. 14329 0.00608 0. 04135 0.20485 0.02670 0 .14274 0.50765 1200

1210 0 .00339 0 .02504 0 . 1 3 8 L 9 0.005 / 9 0. 03967 0 . 19840 0 .02575 0 .1385/ 0 . 49 f 43 12 10

1 O O 1220 0.00322 0 . 02392 0 . 1 532 b 0 . 00t> 52 0.03807 0 . 192 1

0 .02484 (J

1 1 A t T

. 1 34D 2 U « HO / J / 12 30 0 .00305 0 .02285 0. 1284

r» r\ n c o 0. 03652 0 . 18605 0 .02396 0 . 1 305 8r\ / "7 ~7 A "7 (J . H f (HI 12 30

1 1 /. 0 .00290 0 .021 83 r\ t "J 1 o a 0. 1230D U

UUDU I 0. 03504 0 . 18014 0 .02310 0 . 1 26 / D 0.407/2 1 240

1250 0 .00275 0 .02085 0. 11938 0.00478 0, 03362 0.17439 0 .02228 0 .12304 0.45812 1250

1260 0 .00261 0 .01992 0 . 11506 A A A /. C C 0. 03225 A 1 O O 1 0 .02149 0 . 1 19h2 0 . HH800 1 O A A 1260

12/0 0 .00247 0 .01903 U . 11088 r\ A A /. T / 0. 03094 A 1 Z. T ^ O

vJ • lo3 3

0 .02073 U .1159 1 0.439 38 1 *> "7 ri 12/0

12o0 0 .00235 0 .01817 A A A 1 1 0. 02968 A 1 C O 1 1 ^ 0 .01999 r\U . 1 1 2 5U 1280

1290 0 .00223 0 .01736 0. 10293 f\ A A 1 O / 0.00 394 .0. 02846 A 1 C "5 A A 0. 15300 0 .01928 0 . 109 10 .42 125 1290

1300 0.00211 0 .01658 0.09916 0.00375 0. 02 730 0. 14803 0 .01860 0 .10597 0.41241 1300

1310 0 .00200 0 .01583 0.09552 A A A T C "T 0.00357 0. 02619 0 . 14321 0 .01794 0 . 10284 0.40371 1310

1320 0 .00190 0 .01512 0.09199 0.00341 0. 02512 0. 13853 0 .01730 0 .09981 0.39517 1320

1330 0 .00180 0 .01444 0 . 08859 0. 00324 0. 02409 0.1 3399 0 .01669 0 .09686 0 . 38676 13 30

1340 0.00171 0.01379 0. 08531 0.00309 0.02310 0. 12958 0 .01610 0 .09399 0. 37850 1 340

1350 0.00162 0 .01316 0.08213 0.00295 0. 02215 0.12531 0 .01552 0 .09121 0.37039 1350

1360 0 .00154 0.01257 0.07907 0.00231 0. 02124 0.12117 0 .01497 0 .08850 0. 36241 1 360

1370 0 .00146 0 .01200 0.07612 0.00267 0. 02037 0. 11715 0 .01444 0 .08588 0. 35458 1370

1380 0 .00139 0 .01146 0. 07326 0.00255 0. 01953 0. 11325. 0 .01393 0 .08332 0 . 34689 1380

1390 0 .00131 0 .01094 0.07051 0 . 00243 0. 01873 0. 10947 0.01344 0 .08085 0.33933 1390

1400 0 .00125 0 .01044 0.06785 0.00231 0. 01796 0. 10581 0 .01296 0 .07844 0.33191 1400

1410 0 .00118 0.00997 0 . 06529 0.00220 0.01722 0. 10226 0 .01250 0 .07611 0. 32462 1410

1420 0 .00112 0 .00952 0. 06282 0.00210 0. 01651 0.09882 0 .01206 0 .07384 0. 31747 1420

1430 0 .00106 0 .00908 0. 06043 0.00200 0.01582 0.09548 0 .01163 0.07163 0.31045 1430

1440 0 .00101 0 .00867 0.05813 0.00191 0.01517 0. 09225 0 .01122 0 .06949 0.30356 1440

1450 0 .00096 0 .00828 0.05592 0.00182 0. 01454 0.08912 0 .01082 0 .06742 0.29679 1450

1460 0 .00091 0 .00790 0. 05378 0. 00173 0. 01394 0. 08609 0 .01044 0 .06540 0 . 290 16 1460

1470 0 .00086 0 .00754 0.05172 0.00165 0.01336 0.08316 0 .01007 0 .06344 0.28365 1470

1480 0 .00082 0 .00719 0.04973 0.00157 0. 01281 0.0803

0 .00971 0 .06154 2112b 1480

1490 0 .00078 0 .00687 0 . 04782 0.00150 0. 01228 0. 07756 0 .00937 0 .05969 0.27100 1490

1500 0 .00074 0 .00655 0.04597 0.00143 0. 01177 0.07490 0 .00904 0 .05790 0.26486 1500

1510 0 .00070 0 .00625 0.04420 0.00136 0. 01128 0.07232 0 .00872 0 .05616 0.25883 1510

1520 0 .00066 0 .00597 0.04248 0.00130 0. 01081 0.06982 0 .00841 0 .05447 0.25293 1520

1530 0 .00063 0 .00569 0.04084 0.00124 0. 01036 0.06741 0 .0081

0 .05283 0.24714 1530

1540 0 .00060 0 .00543 0.03925 0.00118 0.00993 0.06507 0 .00782 0 .05124 0.24147 1540

1550 0 .00057 0 .00518 0.03772 0.00112 0. 00951 0.06281 0 .00755 0 .04970 0.23590 1550

1560 0 .00054 0 .00495 0.03624 0.00107 0. 00912 0.06062 0 .00728 0 .04820 0.23045 1560

1570 0 .00051 0 .00472 0.03483 0.00102 0. 00874 0.05851 0 .00702 0 .04674 0.22511 15 70

1580 0 .00048 0 .00450 0.03346 0.00097 0. 00837 0.05646 0 .00677 0 .04533 0.21988 1580

1590 0 .00046 0 .00430 0.03215 0.00092 0.00802 0.05448 0 .00653 0 .04396 0.21475 1590

COP cm

V

-1

127
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

V -(f°-e°)/t s° c° -(f°-eo)/t s° c° -(f°-e°)/t s°

^

U P P " cm

1=273.15 T=298.15 T=400.

1LOKJXJ AOO A\J • U U U T J 0 .00410 nU n n ft fl • U J u O o n nn n ft ft • V/ u u o o 0.00769 u n ^ 9 7 0. 00630 AU n A. 9 A ^ U • 9 OQ 7^^ 1 AOO

1 A 1 n 0 • U U T 1. 0.00391 \J • U C. 7 O O n on n ft^ 0. 00736 n 07 ? 0. 00608 0^ 1 0 9 ft 1 1 A 1 0

1 f\9Ci n « \J W U J V 0.00373 U • U C. O *T 7 nu • VJ u u o u 0.00706 u • Ut O " 5 0. 00586 0 o Ann ft n 1 oqqq 1 A 90

1L /^^n \J J\J 0 • nnn w U VJ J 71 0 .00356 n 0 ? 7 ^ A ou nn n 7 A 0. 00676 n OA 7 70 0.00566 n n A 7 n 1X qc" J t9 fto 1 A "^0 1 o

1 A A n nU • nnU (J nu J u 0 .00339 nU n 9 A 9 ft • K) c. O c. O u • nnu U 07U f J 0. 00648 u • U t -> -3 ^ 0. 00546 U

0"^ 7 AQ f\^} •

1 q O A A 1 AA.n

1650 0 .00033 0 .00324 0.02523 0 .00069 0. 00620 0 .04391 0. 00526 0 .03654 0, 18613 1650

1660 0 .00032 0 .00309 0.02423 0 .00066 0. 00594 0 .04235 0.00508 0 .03543 0. 18171 1660

1670 0 .00030 0 .00294 0.02326 0 .00063 0. 00569 0 .04084 0. 00490 0 .03435 0. 17737 1670

1680 0 .00029 0 .00281 0.02233 0 .00060 0. 00546 0 .03938 0. 00472 0 .03331 0. 17313 1680

1690 0 .00027 0 .00268 0.02144 0 .00057 0. 00523 0 .03797 0. 00456 0 .03229 0. 16898 1690

1700 0 .00026 0 .00255 0.02058 0 .00054 0. 00501 0 .03661 0. 00440 0 .03131 0. 16492 1700

1710 0 .00024 0 .00244 0.01976 0 .00052 0. 00479 0 .03530 0. 00424 0 .03035 0. 16094 1710

1720 0 -00023 0 .00232 0.01896 0 .00049 0. 00459 0 .03403 0. 00409 0 .02942 0. 15705 1720

1730 0 .00022 0 .00222 0.01820 0 .00047 0. 00440 0 .03280 0. 00395 0 .02852 0. 15325 1730

1740 0 .00021 0 .00211 0.01746 0 .00045 0. 00421 0 .03162 0. 00381 0 .02765 0. 14953 1740

c°

p cm

1750 0. 00020 0. 00202 0. 01676 0. 00043 0. 00404 0. 03048 0. 00367 0. 0268 I 0. 14589 1750

1760 0. 00019 0. 00192 0. 01608 0. 00041 0. 00386 0. 02937 0. 00354 0. 02598 0. 14233 1760

1770 0. 00018 0. 00133 0. 01543 0. 00039 0. 00370 0. 02831 0. 00342 0. 02519 0. 13885 1770

1780 0. 00017 0. 00175 0. 01480 0. 00037 0.00354 0. 02728 0. 00330 0. 02441 0. 13544 1780

1790 0. 00016 0. 00167 0. 01420 0. 00035 0. 00339 0. 02629 0. 00318 0. 02367 0. 13211 1790

1800 0. 00015 0. 00159 0. 01362 0. 00034 0. 00325 0. 02533 0. 00307 0. 02294 0. 12886 1800

1810 0. 00014 0. 00151 0. 01307 0. 00032 0. 00311 0. 02440 0. 00296 0. 02223 0. 12568 1810

1820 0. 00014 0. 00144 0. 0125^ 0. 00030 0. 00298 0. 02351 0. 00285 0. 02155 0. 12257 1820

1830 0. 00013 0. 00138 0. 01202 0. 00029 0. 00285 0. 02265 0. 00275 0. 02089 0. 11953 1830

1840 0. 00012 0. 00131 0. 01153 0. 00028 0. 00273 0. 02182 0. 00266 0. 02024 0. 11656 1840

1850 0 .00012 0 .00125 0 .01106 0 .00026 0 .00262 0 .02102 0 .00256 0 .01962 0 .11365 1850

1860 0 .00011 0 .00119 0 .01061 0 .00025 0 .00251 0 .02024 0 .00247 0 .01901 0 .11082 1860

1870 0 .00010 0 .00114 0.01017 0 .00024 0 .00240 0 .01950 0 .00238 0 .01843 0 .10805 1870

1880 0 .00010 0 .00108 0.00975 0 .00023 0 .00230 0 .01878 0 .00230 0 .01786 0 . 10534 1880

1890 0 .00009 0 .00103 0 .00935 0 .00022 0 .00220 0 .01809 0 .00222 0 .01731 0. 10269 1890

1900 0 .00009 0 .00099 0 .00896 0 .00021 0 .00211 0 .01742 0 .00214 0 .01677 0 .10011 1900

1910 0 .00008 0 .00094 0 .00859 0 .00020 0 .00202 0 .01677 0 .00206 0 .01625 0 .09758 1910

1920 0 .00008 0 .00090 0 .00824 0.00019 0 .00193 0 .01615 0 .00199 0 .01575 0 .09511 1920

1930 0 .00008 0 .00085 0 .00790 0 .00018 0 .00185 0 .01555 0 .00192 0 .01526 0 .09271 1930

1940 0 .00007 0 .00081 0 .00757 0 .00017 0 .00177 0 .01497 0 .00185 0 .01479 0 .09035 1940

1950 0 .00007 0 .00078 0 .00726 0 .00016 0 .00169 0 .01441 0 .00179 0 .01433 0 .08806 1950

1960 0 .00007 0 .00074 0 .00695 0 .00016 0 .00162 0 .01387 0 .00172 0 .01389 0 .08581 1960

1970 0 .00006 0 .00070 0 .00666 0.00015 0 .00155 0 .01335 0 .00166 0 .01345 0 .08362 1970

1980 0 .00006 0 .00067 0 .00639 0 .00014 0 .00149 0 .01286 0 .00160 0 .01304 0 .08148 1980

1990 0 .00006 0 .00064 0 .00612 0 .00013 0 .00142 0 .01237 0 .00155 0 .01263 0 .07940 1990

2000 0 .00005 0 .00061 0 .00587 0 .00013 0 .00136 0 .01191 0 .00149 0 .01224 0 .07736 2000

2010 0 .00005 0 .00058 0 .00562 0 .00012 0 .00130 0 .01146 0 .00144 0 .01186 0 .07537 2010

2020 0 .00005 0 .00055 0 .00538 0 .00012 0 .00125 0 .01103 0 .00139 0 .01149 0 .07343 2020

2030 0 .00005 0 .00053 0 .00516 0 .00011 0 .00119 0 .01062 0 .00134 0 .01113 0 .07153 2030

2040 0 .00004 0 .00050 0 .00494 0 .00011 0 .00114 0 .01022 0 .00129 0 .01078 0 .06969 2040

2050 0 .00004 0 .00048 0 .00474 0 .00010 0 .00109 0 .00983 0 .00125 0 .01045 0 .06788 2050

2060 0 .00004 0 .00046 0 .00454 0 .00010 0 .00105 0 .00946 0 .00120 0 .01012 0 .06612 2060

2070 0 .00004 0 .00044 0 .00435 0 .00009 0 .00100 0 .00910 0 .00116 0 .00981 0 .06440 2070

2080 0 .00003 0 .00041 0 .00416 0.00009 0 .00096 0 .00876 0 .00112 0 .00950 0 .06273 2080

2090 0 .00003 0 .00040 0 .00399 0 .00008 0 .00092 0 .00842 0 .00108 0 .00920 0 .06109 2090

128
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

V -(f°-e°)/t s° c° -(fo-eo)/t s° c° -(f°-eo)/t s°

cm

T=273.15 r=298.l5 T=400.

2100 0 .00003 0. 00038 0. 00382 0. 00008 0. 00088 0. 00810 0. 00104 0. 00891 0. 05949 2100

2110 0 .00003 0. 00036 0. 00366 0. 00008 0. 00084 0. 00780 0. OOlOl 0. 00864 0. 05794 2110

2120 0 .00003 0. 00034 0. 00350 0. 00007 0. 00080 0. 00750 0. 00097 0. 00836 0. 05642 2120

2130 0 .00003 0. 00033 0. 00335 0. 00007 0. 00077 0. 00721 0. 00094 0. OOfilO 0. 05494 2130

2140 0 .00003 0. 00031 0. 00321 0. 00007 0. 00074 0. 00694 0. 00090 0. 00785 0. 05350 2140

2150 0 .00002 0. 00030 0. 00308 0. 00006 0. 00071 0. 00667 0. 00087 0. 00760 0. 05209 2150

2160 0 .00002 0. 00028 0. 00295 0. 00006 0. 00067 0. 00642 0. 00084 0. 00736 0. 05071 2160

2170 0 .00002 0. 00027 0. 00282 0. 00006 0. 00065 0. 00617 0. 00081 0. 00713 0. 04938 2170

2180 0 .00002 0. 00026 0. 00270 0. 00005 0. 00062 0. 00594 0. 00078 0. 00691 0. 04807 2180

2190 0 .00002 0. 00024 0. 00258 0. 00005 0. 00059 0. 00571 0. 00075 0. 00669 0. 04680 2190

c°

p cm

2200 0 .00002 0.00023 0. 00247 0. 00005 0. 00057 0. 00549 0. 00073 0. 00648 0. 04555 2200

2210 0 .00002 0.00022 0. 00237 0. 00005 0. 00054 0. 00528 0. 00070 0. 00628 0. 04434 2210

2220 0 .00002 0.00021 0. 00227 0. 00004 0. 00052 0. 00507 0. 00068 0. 00608 0. 04316 2220

2230 0 .00002 0.00020 0. 00217 0. 00004 0. 00050 0. 00488 0. 00065 0. 00589 0. 04201 2230

2240 0 .00001 0.00019 0. 00208 0. 00004 0. 00047 0. 00469 0. 00063 0. 00570 0. 04089 2240

2250 0 .00001 0. 00018 0 .00199 0 .00004 0. 00045 0. 00451 0. 00061 0. 00552 0 .03980 2250

2260 0 .00001 0. 00017 0 .00190 0 .00004 0. 00043 0. 00434 0. 00059 0. 00535 0 .03874 2260

2270 0 .00001 0. 00017 0 .00182 0 .00003 0.00042 0. 00417 0. 00057 0. 00518 0 .03770 2270

2280 0 .00001 0. 00016 0 .00174 0 .00003 0. 00040 0. 00401 0. 00055 0. 00502 0 .03669 2280

2290 0 .00001 0. 00015 0 .00167 0 .00003 0. 00038 0. 00385 0. 00053 0. 00486 0 .03570 2290

2300 0 .00001 0.00014 0 .00160 0 .00003 0. 00036 0. 00 3 70 0. 00051 0. 00471 0 .03474 2300

2310 0 .00001 0. 00014 0 .00153 0 .00003 0. 00035 0. 00356 ' 0. 00049 0. 00456 0 .03380 2310

2320 0 .00001 0. 00013 0 .00146 0 .00003 0. 00033 0. 00342 0. 00047 0. 00441 0 .03289 2320

2330 0 .00001 0. 00012 0 .00140 0 .00003 0. 00032 0. 00329 0. 00046 0. 00427 0 .03200 2330

2340 0 .00001 0. 00012 0 .00134 0 .00002 0. 00030 0. 00316 0. 00044 0. 00414 0 .03114 2340

2350 0 .00001 0. 00011 0 .00128 0 .00002 0. 00029 0. 00304 0. 00042 0. 00401 0 .03029 2350

2360 0 .00001 0. 00011 0 .00123 0 .00002 0. 00028 0. 00292 0. 00041 0. 00388 0 .02947 2360

2370 0 .00001 0. 00010 0 .00117 0 .00002 0.00027 0. 00280 0. 00039 0. 00376 0.02867 2370

2380 0 .00001 0. 00010 0 .00112 0 .00002 0. 00026 0. 00269 0. 00038 0. 00364 0 .02789 2380

2390 0 .00001 0. 00009 0 .00107 0 .00002 0. 00024 0. 00259 0. 00037 0. 00352 0 .02713 2390

2400 0. 00001 0. 00009 0. 00103 0.00002 0.00023 0. 00249 0. 00035 0. 00341 0 .02639 2400

2410 .. 0. 00001 0. 00008 0. 00098 0.00002 0.00022 0. 00239 0. 00034 0. 00330 0 .02567 2410

2420 0. 00001 0. 00008 0. 00094 0.00002 0.00021 0. 00230 0. 00033 0. 00320 0 .02497 2420

2430 0. 00001 0. 00008 0. 00090 0.00002 0.00020 0. 00221 0. 00032 0. 00310 0 .02429 2430

2440 0. 00001 0. 00007 0. 00086 0.00002 0.00020 0. 00212 0. 00031 0. 00300 0 .02362 2440

2450 0. OOOCO 0. 00007 0. 00082 0 .00001 0. 00019 0.00204 0. 00030 0. 00290 0. 02298 2450

2460 0. 00000 0. 00007 0. 00079 0 .00001 0. 00018 0.00196 0. 00029 0. 00281 0. 02235 2460

2470 0. 00000 0. 00006 0. 00075 0 .00001 0. 00017 0.00188 0. 00028 0. 00272 0. 02173 2470

2480 0. 00000 0. 00006 0. 00072 0 .00001 0. 00016 0.00181 0. 00027 0. 00263 0. 02113 2480

2490 0. 00000 0. 00006 0. 00069 0 .00001 0. 00016 0.00173 0. 00026 0. 00255 0. 02055 2490

2500 0. 00000 0- 00005 0. 00066 0. OOOOl 0.00015 0. 00167 0. 00025 0. 00247 0. 01999 2500

2510 0. 00000 0. 00005 0- 00063 0. 00001 0.00014 0. 00160 0. 00024 0. 00239 0. 01943 2510

2520 0. 00000 0. 00005 0. 00060 0. OOOOl 0.00014 0. 00154 0. 00023 0. 00231 0. 01890 2520

2530 0. 00000 0. 00005 0. 00058 0. 00001 0.00013 0. 00148 0. 00022 0. 00224 0. 01837 2530

2540 0. 00000 0. 00004 0. 00055 0. OOOOl 0.00013 0. 00142 0. 00021 0. 00217 0. 01786 2540

2550 0. 00000 0. 00004 0.00053 0 .00001 0. 00012 0. 00136 0. 00021 0. 00210 0.01737 2550

2560 0. 00000 0. 00004 0.00050 0 .00001 0. 0001

0. 00131 0. 00020 0. 00203 0.01689 2560

2570 0. 00000 0. 00004 0.00048 0 .00001 0. 0001

0. 00126 0. 00019 0. 00197 0.01642 2 570

2580 0. 00000 0. 00004 0.00046 0 .00001 0. 00010 0. 00121 0. 00019 0. 00191 0.01596 2580

2590 0. 00000 0. 00003 0.00044 0 .00001 0. 00010 0. 00116 0. 00018 0. 00184 0.01552 2590

129
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

-1

(F°-Eg)/T S° C°

P

-(f°-e°)/t s° c°

p

(f°-e°)/t s° c°

p

V

cm

T=273. 15 1=298.15 T=400.

2600 0. 00000 0 . 00003 0 . 00042 0. 00001 0. OOOlO 0. 00111 0. 00017 0. 00179 0 .01508 2600

2610 0. 00000 0 .00003 0 . 00040 0. 00001 0. 00009 0. 00107 0. 00017 0. 00173 0 .01466 2610

2620 0. 00000 0 .00003 0 .00038 0. 00001 0. 00009 0. 00103 0. 00016 0. 00167 0 .01425 2620

2630 0 . 00000 0 . 00003 0 .00037 0. 00001 0. 00008 0.00098 0. 00015 0.00162 0 . 0 1386 2630

2640 0. 00000 0 .00003 0 . 00035 0. 00001 0. 00008 0. 00095 0. 00015 0. 00157 0 .01347 2640

2650 0. 00000 0 .00003 0 .00034 0.00001 0. 00008 0. 00091 0. 00014 0. 00152 0 .01309 2650

2660 0. 00000 0 .00002 0 .00032 0. 00001 0. 00007 0. 00087 0. 00014 0. 00147 0 .01272 2660

2670 0. 00000 0 .00002 0 .00031 0. 00001 0.00007 0. 00084 0. 00013 0. 00142 0 .01237 2670

2680 0. 00000 0 .00002 0 .00029 0. 00000 0. 00007 0. 00080 0. 00013 0. 00138 0 .01202 2680

2690 0. 00000 0 .00002 0 .00028 0. 00000 0. 00006 0. 00077 0. 00012 0. 00133 0 .01168 2690

2700 0. 00000 0 .00002 0 .00027 0. 00000 0. 00006 0. 00074 0. 00012 0. 00129 0 .01135 2700

2710 0. 00000 0 .00002 0 .00026 0. 00000 0. 00006 0. 00071 0. 00012 0. 00125 0 .01103 2710

2720 0. 00000 0 .00002 0 .00024 0. 00000 0. 00006 0. 00068 0. 00011 0. 00121 0 .01072 2720

2730 0. 00000 0 .00002 0 .00023 0. 00000 0. 00005 0. 00065 0. 00011 0. 00117 0 .01042 2730

2740 0. 00000 0 .00002 0 .00022 0. 00000 0. 00005 0. 00063 0. 00010 0. 00113 0 .01012 2740

2750 0. 00000 0. 00002 0. 00021 0 .00000 0. 00005 0. 00060 0. OOOlO 0. 00110 0. 00984 2750

2760 0. 00000 0. 00002 0. 00020 0 .00000 0. 00005 0. 00058 0. 00010 0. 00106 0. 00956 2760

2770 0. 00000 0. 00001 0. 00019 0 .00000 0. 00004 0. 00056 0. 00009 0. 00103 0. 00929 2770

2780 0. 00000 0. 00001 0. 00019 0 .00000 0. 00004 0. 00053 0. 00009 0. 00099 0. 00903 2780

2790 0. 00000 0. 00001 0. 00018 0 .00000 0. 00004 0. 00051 0. 00009 0. 00096 0. 00877 2790

2800 0 .00000 0 .00001 0. 00017 0. 00000 0. 00004 0. 00049 0. 00008 0.00093 0. 00852 2800

2810 0 .00000 0 .00001 0. 00016 0. 00000 0. 00004 0. 00047 0. 00008 0.00090 0. 00828 2810

2820 0 .00000 0 .00001 0. 00016 0. 00000 0. 00004 0. 00045 0. 00008 0.00087 0. 00804 2820

2830 0 .00000 0 .00001 0. 00015 0. 00000 0. 00003 0. 00043 0. 00008 0.00084 0. 00781 2830

2840 0 .00000 0 .00001 0. 00014 0. 00000 0. 00003 0. 00042 0. 00007 0.00082 0. 00759 2840

2850 0 .00000 0 .00001 0 .00014 0 .00000 0.00003 0 .00040 0 .00007 0 .00079 0 .00737 2850

2860 0 .00000 0 .00001 0 .00013 0.00000 0.00003 0 .00038 0 .00007 0 .00076 0 .00716 2860

2870 0 .00000 0 .00001 0 .00012 0 .00000 0.00003 0 .00037 0 .00007 0 .00074 0 .00696 2870

2880 0 .00000 0 .00001 0 .00012 0 .00000 0.00003 0 .00035 0 .00006 0 .00072 0 .00676 2880

2890 0 .00000 0 .00001 0 .00011 0 .00000 0.00003 0 .00034 0 .00006 0 .00069 0 .00657 2890

2900 0 .00000 0 .00001 0 .00011 0 .00000 0.00002 0 .00033 0 .00006 0 .00067 0 .00638 2900

2910 0 .00000 0 .00001 0 .00010 0 .00000 0.00002 0 .00031 0 .00006 0 .00065 0 .00620 2910

2920 0 .00000 0 .00001 0 .00010 0 .00000 0.00002 0 .00030 0 .00005 0 .00063 0 .00602 2920

2930 0 .00000 0 .00001 0 .00009 0 .00000 0.00002 0 .00029 0 .00005 0 .00061 0 .00584 2930

2940 0 .00000 0 .00001 0 .00009 0 .00000 0.00002 0 .00028 0 .00005 0 .00059 0 .00568 2940

2950 0 .00000 0 .00001 0 .00009 0 .00000 0.00002 0 .00026 0 .00005 0 .00057 0 .00551 2950

2960 0 .00000 0 .00001 0 .00008 0 .00000 0.00002 0 .00025 0 .00005 0 .00055 0 .00535 2960

2970 0 .00000 0 .00001 0 .00008 0.00000 0.00002 0 .00024 0 .00005 0 .00053 0 .00520 2970

2980 0 .00000 0 .00001 0 .00007 0 .00000 0.00002 0 .00023 0 .00004 0 .00052 0 .00505 2980

2990 0 .00000 0 .00000 0 .00007 0 .00000 0.00002 0 .00022 0 .00004 0 .00050 0 .00490 2990

3000 0 .00000 0 .00000 0.00007 0 .00000 0.00002 0 .00021 0 .00004 0 .00048 0 .00476 3000

3010 0 .00000 0 .00000 0 .00006 0 .00000 0.00002 0 .00021 0 .00004 0 .00047 0 .00463 3010

3020 0 .00000 0 .00000 0 .00006 0 .00000 0.00001 0 .00020 0 .00004 0 .00045 0 .00449 3020

3030 0 .00000 0 .00000 0 .00006 0 .00000 0.00001 0 .00019 0 .00004 0 .00044 0 .00436 3030

3040 0 .00000 0 .00000 0 .00006 0 .00000 0.00001 0 .00018 0 .00004 0 .00042 0 .00424 3040

3050 0 .00000 0 .00000 0 .00005 0 .00000 0.00001 0 .00017 0 .00003 0 .00041 0 .00411 3050

3060 0 .00000 0 .00000 0 .00005 0 .00000 0.00001 0 .00017 0 .00003 0 .00040 0 .00399 3060

3070 0 .00000 0 .00000 0 .00005 0.00000 0.00001 0 .00016 0 .00003 0 .00038 0 .00388 3070

3080 0 .00000 0 .00000 0 .00005 0 .00000 0.00001 0 .00015 0 .00003 0^00037 0 .00377 3080

3090 0 .00000 0 .00000 0 .00004 0 .00000 0.00001 0 .00015 0 .00003 0 .00036 0 .00366 3090

130
V

cm

Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

-(f°-e°)/t so c°

p

-(f°-eo)/t s° -(F°-Eo)/T s° CO

p

V

cm

T=273.15 T=298. 15 T=400.

a 1 r\ A

3 lUU 0 • uoouu 0 .00000 0 .00004 o

A n A A A . UuOOO A A A A A 1 O . 00 00nuA A A 1 A . OOO i t on n n / 1 • UUUU -5 nu n nn 1 *^ • UUU J J un n ^ • uu J !> !) J1 11 nnuu 3110 0 . 00000 0 .00000 A A A A A 0 .00004 Au

A A A A A . ooooo A A AAA 1 U . OOOO i nu A A A 1 A . OOO 1 H

A0 • UUUU 3 un nn A un n A c; ^ 1 1 n

3 12U 0

ri f\ r\ r\ r\ . 00000 0A A A A A .00000 0.00004 A0 A r \ A A A • ooooo A A A A A 1 0 . OOOOnuA A A 1 . OOO 1. i Ao nnnnii • UUUU 5 nu • UUU 3^ nu

n n "J ^ . uu 3 3 -> 1 1 9 n 3 1 zu

3 1 30 0 .00000 0

A A A A A . ooouo 0 .00004 AuA A A A A . OOOOu A A A f ^ A 1 O . 00 00

nu AAA 1

"7 . OOO 1. C Ao nnnn-i • UU UU ^ u

n nn "3 1 • UUU D i u 3 1 -5U 3140 0 .00000 0 .00000 0 .00004 0 .00000 O.OOOOl 0 .00012 0 .00002 0 .00030 0 .00315 3140

"A 1 C 3 1 U • UUUUU u

r\ A n r> n • UUUUU 0 .00003 nU nnnnn • UUUUU n n n nn

U • UUUU 1 u nnn i i • UUU 1 1 u • UUUU ^: u • VuV V

nu

n n n A • U U J Uo 1 t^n O 1 9U

3 i OU U nn n n n • UUUUU u •UUUUU 0 .00003 nu • nnnnn UUUUU n n n nn

U • U U U U X nu nnn i i • UUU I I nu m U U U U ^ nu . nnn u uu p ao nu • nnU U ^t? Q77 1 9^ 11 AnOU

o %. (yj U 9 UUUUU u • UUUUU 0 .00003 nu • UUUUU n n n n 1 U • UUUU i nu nnn i i • UUU i

n

u

n nn n 9 • U U U U /I nu n nn 7 ft • u uu ^ o nu nn 9 ftQ • U U ^ o 7 ^9 11 7n# U U UUUUU u • UUUUU 0 .00003 nu • nnnnn U U U uu nU n n n n 1 • U U U U 1 nu • nnn uu U i1 nu nu • U U U U c nu • nnn U U U ^7 7r nu nn 9 ft n 9

11ftO nU

3190 0 .00000 0 .00000 0.00003 0 .00000 0*00001 0 .00010 0 .00002 0 .00026 0 .00272 3190

u • UUUUU nU •UUUUU nnnnn 0 .00003 nu • nnnnn UUUUU nu • nuun nuum

nu . UUU U 7 0 .00002 nu . nnn u uu ^? s^ 0 .00264 ?nn

3 ^ I u U nn nn n • UUUUU 0 .00000 0 .00003 nu • UUUUU n n n n n 1 u • u U U U 1 nu • uu U U 7 0 .00002 nu • nU nnU U t9 A*T 0 .00256

nu nn nnn 0 .00000 0 .00002 nu nnnnn n n n n n 1 nu . nnnnQ UUUU" 0 .00002 nu nnn? 0 .00249 J c.? t.?nU

nu •UUUUU nn nn n 0 .00000 0 .00002 u • UUUUU n nn nn

U U U U U 1 nu nnnn ft . UUU u o 0 .00002 nu . nnn UUU ^? J 0 .00241 J ?c. '^n 3 U 3240 0 .00000 0 .00000 0 .00002 0 .00000 0.00001 0 .00008 0 .00002 0 .00022 0 .00234 3240

nnnnn 0 .00000 0 .00002 u nnnnn nU . nnnni U U U U X Au . nnnnR u u u u o 0 .00002 Au

A A A 9 1 . U U U C 1 0 .00227 7 sn

0 .00000 0 .00000 0 .00002 . nnnnn UUUUU nU . nnnnn UUUUU Au .UUUU nnnn7

0 .00002 Au . nnn? u u u ^ nu 0 .00221 ? 6nu u

0 .00000 0 .00000 0 .00002 u .UUUUU nnnnn nU . nnnnn UUUUU Au . AAAA7 UUUU f 0 .00002 nu • nnn?n u u u ^ u 0 .00214 J t. 1 u 3^ o u 0 .00000 0 .00000 0.00002 Au . nnnnn UUUUU nu . nnnnn u u u u u

Au .UUUU AAAAT

0 .00002 Au AAA 1 Q . U U U J. 7 0 .00208 J c o u 3290 0 .00000 0 .00000 0 • nonn? \J \J \J \J c 0 •OOOOO 0.00000 0 .00006 0 .00001 0 .00019 0.00202 3290

^ "inn 0 .00000 0 .00000 0 .00002 nu • nnnnn UUUUU nU • nnnnn UUUUU nu . UU uu o 0.00001 nu . nnn u uu i1 a

0 .00196 9 "^nn 9 U U

3 3 1 VJ 0 .00000 0.00000 0 .00002 nu • nnnnn UUUUU nU • nnnnn UUUUU nu • nnnn u u u u Ao 0 .00001 nu . nnn u uu 1

i 7f 0 .00190 9 9 1 U

^ -a o n 0 .00000 0.00000 0 .00002 nu • UUUUU U • UUUUU nu • U U U U D 0 .00001 nu . nnn UUU i1 7

0 .00185 9 9£.U 9n

0 .00000 0 .00000 0 .00001 n • UUUUU nU • nnUUUUU nnn nu nnnn t\ • u u u u ^ 0 .00001 nu . nnn uu U 1

i a

0 .00179 "^n 3340 0 .00000 0 .00000 0 .00001 0 .00000 0.00000 0 .00005 0 .00001 0 .00016 0 .00174 3340

0 .00000 0 .00000 0 .00001 nu • UUUUU U • UUUUU 0 .00005 0 .00001 u

n n 1 ^ . UUU i !> 0 .00169 9 9 DU

0.00000 0 .00000 0 .00001 nu nnnnn • UUUUU nU • nnnnn UUUUU 0 .00005 0 .00001 nu

n nn 1 • UUU 1

0 .00164 9 9 AnO U

3 3 f u 0 .00000 0 .00000 0 .00001 0 .00000 U • UUUUU 0 .00005 0 .00001 nu nnn i a • UUU 1 * 0 .00159 ^9 ^9 7n( U

a I Q r\ 0 .00000 0 .00000 0 .00001 0 .00000 nU • UUUUU nnnnn 0 .00004 0 .00001 nu • nUUUnn 1 AL *! 0 .00154 lion 9 9 oU

3390 0 .00000 0 .00000 0 .00001 0 .00000 0.00000 0 .00004 0 .00001 0 .00013 0 .00150 3390

o y. r\ 0 .00000 0 .00000 0 .00001 0 .00000 A A A A A A 0 • ooooo 0 .00004 0 .00001 Ao AAA 1 1 • OOO 1

0 .00145 "a An n 9*f uu

Ik A 1 r\ 1 U 0 .00000 0 .00000 0 .00001 0 .00000 A0 . nOOOuO A AAA 0 .00004 0 .00001 A0 A A A 1 O . OOO 1 0.00141 ^ A 1 n

> A o n 0 .00000 0 .00000 0 .00001 0 .00000 A A A A A A 0. ooooo 0 .00004 0 .00001 A0

A A A 1 O

. 000 1 ^: 0 .00137 a9HcA 9 nU 0 .00000 0 .00000 0 .00001 0 .00000 A0 . nooooo A A AA 0 .00004 0 .00001 Ao AAA 1 9 . OOO 1

0 .00133 ^9*tA 9U^n

3440 0 .00000 0 .00000 0 .00001 0 .00000 0.00000 0 .00003 0 .00001 0 .00011 0 .00129 3440

0 .00000 0 .00000 0 .00001 0 .00000 U . UUUUU 0.00003 0 .00001 u

n nn 1 i . UUU 1

0 .00125 3 A tin 9** ->U '^A AH 0 .00000 0 .00000 0 .00001 0 .00000 nU . nnnnn UUUUU 0.00003 0 .00001 nu nnn i i . UUU 1

0 .00121 9*fA AnOU

1 A7n1 U 0 .00000 0 .00000 0 .00001 0.00000 U . UUUUU 0 .00003 0 .00001 u .UUU n n n 1 nL U 0 .00118 'i* 9 A7n H f U

:kA AO 0 .00000 0 .00000 0 .00001 0 .00000 nU . nnnnn UUUUU 0 .00003 0 -OOOOl nu .UUU nnn ii nu 0 .00114 9 "tOU 0 .00000 0 .00000 0 .00001 0 .00000 nU . nnnnn UUUUU 0 .00003 0 .00001 nu nnni n • UUU i u 0 .00111 ^9*tAonVU

3500 0 .00000 0 .00000 0 .00001 0 .00000 0.00000 0.00003 0 .00001 0 .00009 0.00107 3500

3510 0 .00000 0 .00000 0 .00001 0 .00000 0.00000 0 .00003 0 .00001 0 .00009 0 .00104 3510

3520 0 .00000 0 .00000 0 .00001 0 .00000 0.00000 0 .00002 O.OOOOl 0 .00009 0 .00101 3520

3530 0 .00000 0 .00000 0 .00001 0 .00000 0.00000 0 .00002 0 .00001 0 .00008 0 .00098 3530

3540 0 .00000 0 .00000 0 .00001 0 .00000 0.00000 0 .00002 0 .00001 0 .00008 0 .00095 3540

3550 0.00000 0 .00000 0 .00001 0 .00000 0.00000 0 .00002 0 .00001 0 .00008 0 .00092 3550

3560 0 .00000 0 .00000 0 .00001 0 .00000 0.00000 0 .00002 0 .00001 0 .00008 0 .00089 3560

3570 0 .00000 0.00000 0 .00000 0 .00000 0.00000 0 .00002 0 .00001 0 .00007 0 .00087 3570

3580 0 .00000 0 .00000 0 .00000 0 .00000 0.00000 0 .00002 0 .00001 0 .00007 0 .00084 3580

3590 0 .00000 0 .00000 0.00000 0 .00000 0.00000 0 .00002 0 .00000 0 .00007 0 .00082 3590

131
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

cm

-1

s° c°

p

-(f°-e°)/t s° c°

p -(f°-e°)/t s° c°

p

1/

cm

T=273. 15 T=298. 15 T=^00.

3600 0 .00000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00002 0 .00000 0 .00007 0 -00079 3600

3610 0 .00000 0 . 00000 0 .00000 0 .00000 0 . 00000 0 . 00002 0 .00000 0 .00006 0 .00077 3610

3620 0 .00000 0 . 00000 0 . 00000 0 .00000 0 . 00000 0 . 00002 0 . 00000 0 .00006 0 .00075 3620

3630 0 .00000 0 .00000 0 . 00000 0 .00000 0 . 00000 0 . 00002 0 . 00000 0 .00006 0 .00072 3630

3640 0 .00000 0 .00000 0 .00000 0 .00000 0 . 00000 0 .00001 0 .00000 0 .00006 0 .00070 3640

3650 0 .00000 0 .00000 0 . 00000 0 .00000 0 . 00000 0 .00001 0 . 00000 0 .00006 0 .00068 3650

3660 0 .00000 0 .00000 0 . 00000 0 .00000 0 . 00000 0 .00001 0 . 00000 0 .00005 0 .00066 3660

3670 0 .00000 0 .00000 0 . 00000 0.00000 0 . 00000 0 .00001 0 .00000 0 . 00005 0 .00064 3670

3680 0.00000 0 .00000 0 . 00000 0 .00000 0 . 00000 0 .00001 0 . 00000 0 . 00005 0 .00062 3680

3690 0 . 00000 0 .00000 0 .00000 0.00000 0 .00000 0 .00001 0 .00000 0 .00005 0 .00060 3690

3700 0 .00000 0 .00000 0 . 00000 0 .00000 0 . 00000 0 .00001 0 . 00000 0 .00005 0 .00058 3700

37 10 0 .00000 0 .00000 0 .00000 0 .00000 0

ft /"s r\ r\ . 00000 0 .00001 0 . 00000 0 . 00005 0 . 00057 3710

3720 0 . 00000 0 .00000 0 .00000 0 .00000 0 . 00000 0 .00001 0 .00000 0 .00004 0 .00055 3720

3730 0 . 00000 0 .00000 0 . 00000 0 .00000 0 . 00000 0 .00001 0 .00000 0 .00004 0 .00053 3730

3740 0 . 00000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00001 0 .00000 0 .00004 0 .00052 3740

3750 0 .00000 0.00000 0 . 00000 0 .00000 0 . 00000 0 .00001 0 .00000 0 .00004 0 .00050 3750

3760 0 .00000 0 .00000 0 . 00000 0 .00000 0 . 00000 0.00001 0 . 00000 0 .00004 0 . 00049 3760

3770 0 .00000 0 .00000 0 . 00000 0 .00000 0 . 00000 0 .00001 0 .00000 0 .00004 0 . 00047 3770

3780 0 .00000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00001 0 .00000 0 .00004 0 .00046 3780

3790 0 .00000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00001 0 .00000 0 .00003 0 .00044 3790

3800 0 .00000 0 .00000 0 .00000 0 .00000 0 . 00000 0 .00001 0 . 00000 0 . 00003 0 . 00043 3800

3810 0 .00000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00001 0 .00000 0 .00003 0 .00042 3810

3820 0 .00000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00001 0 .00000 0 .00003 0 . 00040 3820

3830 0 .00000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00001 0 . 00000 0 .00003 0 .00039 3830

3840 0 .00000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00001 0 .00000 0 .00003 0 .00038 3840

3850 0 .00000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00001 0 .00000 0 .00003 0 .00037 3850

3860 0 .00000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00001 0 .00000 0 .00003 0 .00036 3860

3870 0 .00000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00001 0 .00000 0 .00003 0 .00035 3870

3880 0 .00000 0 .00000 0.00000 0.00000 0.00000 0 .00001 0 .00000 0 .00003 0 .00034 3880

3890 0 .00000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00003 0 .00033 3890

3900 0 .00000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00002 0 .00032 3900

3910 0 .00000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00002 0 .00031 3910

3920 0 .00000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00002 0 .00030 3920

3930 0 .00000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00002 0 .00029 3930

3940 0 .00000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00002 0 .00028 3940

3950 0 .00000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00002 0 .00027 3950

3960 0.00000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00002 0 .00026 3960

3970 0 .00000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00002 0.00025 3970

3980 0 .00000 0 .00000 0.00000 0 .00000 0 .00000 0 .00000 0 .00000 0.00002 0 .00025 3980

3990 0 .00000 0.00000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00002 0 .00024 3990

4000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00000 0 .00002 0 .00023 4000

132
cm

-1

Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

•(f°-e°)/t s° c°

p

-(F°-Eg)/T S° no -(F°-e°)/t S° c°

P cm

V

-1

T= 500, T= 600. T= 700,

100 2.75434 4.46929 1 .97351 3.07108 4. 82950 1 .97767 3.34463 5.13457 1 .98019 100

110 2.59209 4.28132 I .97066 2.90451 4. 64110 1 .97569 3.17492 4.94590 1 .97873 110

120 2.44621 4.10999 1 .96754 2.75434 4. 46929 1.97351 3.02163 4.77380 1 .97713 120

130 2.31403 3.95263 1 .96416 2.61792 4. 31141 1 .97115 2.88212 4.61561 1 .97539 130

140 2.19351 3.80720 1 .96051 2.49319 4. 16543 1 .96861 2.75434 4.46929 1 .97351 140

150 2.08302 3.67207 1 .95660 2.37854 4. 02970 1 .96588 2.63665 4.33320 1 .97150 150

160 1.98124 3.54593 1 .95243 2.27265 3. 90292 1 .96297 2.52774 4.20603 1 .96936 160

170 1.88711 3.42769 1 .94801 2.17443 3. 78400 1 .95988 2.42654 4.08670 1 .96707 170

180 1.79972 3.31648 1 .94333 2.08302 3. 67207 1 .95660 2.33215 3.97434 1 .96466 180

190 1.71835 3.21154 1 .93840 1.99765 3. 56638 1 .95315 2.24384 3.86818 1.96211 190

200 1.64235 3. 11224 1 .93322 1.91769 3. 46628 1 .94951 2.16098 3.76761 1 .95942 200

210 1.57119 3.01805 1 .92779 1.84262 3. 37126 1 .94570 2.08302 3.67207 1 .95660 210

220 1.50441 2.92850 1 .92211 1.77197 3. 28084 1 .94172 2.00950 3.58112 1.95365 220

230 1.44161 2.84319 1 .91619 1.70533 3. 19461 1 .93755 1.94002 3.49434 1 .95057 230

240 1.38243 2.76177 1 .91003 1.64235 3. 11224 1 .93322 1.87423 3.41139 1.94736 240

250 1.32657 2.68392 1 .90364 1.58274 3. 03342 1 .92871 1.81182 3.33197 1 .94402 250

260 1.27375 2.60939 1 .89701 1.52621 2. 95786 1 .92403 1.75253 3.25579 1 .94054 260

270 1.22375 2.53792 1 .89015 1.47254 2. 88534 1.91918 1.69611 3.18262 1 .93694 270

280 1.17634 2.46931 1 .88307 1.42149 2. 81563 1 .91417 1.64235 3. 11224 1 .93322 280

290 1.13134 2.40336 1 .87576 1.37290 2. 74855 1 .90899 1.59106 3.04447 1 .92936 290

300 1.08856 2.33989 1 .86822 1.32657 2. 68392 1 .90364 1.54206 2.97913 1.92538 300

310 1.04786 2.27876 1 .86048 1.28236 2. 62159 1 .89813 1.49521 2.91606 1 .92128 310

320 1.00910 2.21982 1 .85251 1.24012 2. 56142 1 .89246 1.45035 2.85513 1 .91705 320

330 0.97215 2.16294 1 .84434 1.19973 2. 50327 1 .88664 1.40737 2.79621 1 .91270 330

340 0.93690 2.10800 1 .83596 1.16108 2. 44704 1 .88065 1.36614 2.73917 1.90823 340

350 0.90323 2.05491 1 .82738 1.12406 2. 39261 1 .87452 1.32657 2.68392 1 .90364 350

360 0.87106 2.00355 1 .81860 1.08856 2. 33989 1 .86822 1.28855 2.63036 1 .89893 360

370 0.84029 1.95384 1 .80963 1.05451 2. 28879 1 .86178 1.25199 2.57840 1 .89410 370

380 0.81084 1.90571 1 .80046 1.02182 2. 23923 1 .85519 1.21682 2.52795 1 .88915 380

390 0.78264 1.85906 1.79111 0.99041 2. 19113 1 .84845 1. 18296 2.47895 1 .88409 390

400 0.75562 1.81383 1 .78157 0.96022 2. 14442 1 .84157 1.15034 2.43131 1 .87892 400

410 0.72971 1.76996 1 .77186 0.93118 2. 09903 1 .83455 1.11889 2.38498 1 .87363 410

420 0.70485 1.72738 1 .76197 0.90323 2. 05491 1 .82738 1.08856 2.33989 1 .86822 420

430 0.68100 1.68604 1 .75192 0.87632 2. 01199 1 .82008 1.05929 2.29600 1 .86271 430

440 0.65809 1.64588 1 .74169 0.85039 1. 97024 1 .81264 1.03102 2.25324 1 .85709 440

450 0.63608 1.60685 1 .73131 0.82540 1. 92958 1.80507 1.00372 2.21157 1 .85136 450

460 0.61493 1.56892 1 .72077 0.80130 I. 89000 1 .79736 0.97733 2. 17094 1 .84552 460

470 0.59459 1.53202 1 .71008 0.77805 1. 85142 1 .78953 0.95181 2.13132 I .83958 470

480 0.57503 1.49613 1 .69923 0.75562 1. 81383 1 .78157 0.92712 2.09265 I .83353 480

490 0.55620 1.46121 1 .68825 0.73395 1. 77718 1 .77349 0.90323 2.05491 1 .82738 490

500 0.53808 1.42721 1 .67713 0.71302 1. 74143 1 .76529 0.88010 2.01805 1 .82113 500

510 0.52062 1.39411 1 .66587 0.69280 1. 70656 1 .75697 0.85770 1.98205 1 .81478 510

520 0.50381 1.36188 1 .65448 0.67326 1. 67252 1 .74853 0.83600 1.94687 1 .80833 520

530 0.48761 1.33047 1 .64296 0.65436 1. 63930 1 .73998 0.81497 1.91249 1 .80178 530

540 0.47200 1.29987 1 .63133 0.63608 1. 60685 I .73131 0.79458 1.87887 1 .79514 540

550 0.45694 1.27004 1 .61957 0.61840 1. 57517 1 .72254 0.77480 1.84600 1 .78840 550

560 0.44242 1.24097 1 .60771 0.60128 1. 54421 1 .71366 0.75562 1.81383 I .78157 560

570 0.42842 1.21262 1 .59574 0.58471 1. 51396 1 .70467 0.73700 1.78236 1 .77465 570

580 0.41490 1.18497 1 .58366 0.56867 1. 48439 1 .69559 0.71893 1.75156 I .76765 580

590 0.40186 1.15800 1 .57149 0.55313 1. 45548 1 .68641 0.70138 1.72140 1 .76055 590

133
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

V

-1 cm

-(Fo_eo)/t s° C°

p

-(f°-e°)/t S° C°

p

-(f°-e°)/t S° C°

p V

-1 cm

T = 500. T = 600. T= 700.

600 0. 38926 1 .13169 1. 55922 0.53808 1. 42721 1. 67713 0. 68435 I. 69187 1 .75336 600

610 0. 37710 1 . 10602 1. 5468 7 0.52349 I. 39957 1. 66775 0. 66779 1. 66295 1 .74610 610

620 0. 36536 1 .08097 1. 53443 0.50935 1. 37253 1. 65829 0. 65171 1. 63461 1 .73874 620

630 0. 35401 1 .05651 1. 52191 0.49564 I. 34607 1. 64874 0. 63608 1. 60685 1 .73131 630

640 0. 34305 1 .03265 I. 50931 0.48234 1. 32018 1. 63910 0. 62089 1. 57965 I .72380 640

650 0. 33246 1 .00934 1. 49664 0.46945 1. 29484 1. 62938 0. 60612 1. 55298 1 .71621 650

660 0. 32222 0 .98659 1. 48390 0.45694 1. 27004 1. 61 957 0. 59175 1. 52684 1 .70854 660

670 0. 31232 0 .96437 1. 47111 0.44481 1. 24576 1. 60970 0. 57778 1. 50120 1 .70079 670

680 0. 30275 0 .94267 1. 45825 0.43303 1. 22199 1. 59974 0. 56418 1. 47606 1 .69297 680

690 0. 29350 0 .92148 1. 44534 0.42160 1. 19870 1. 58971 0. 55095 I. 45140 1 .68509 690

700 0 .28454 0 .90077 1 .43238 0.41050 1 .17590 1 .57962 0 .53808 1 .42721 1.67713 700

710 0 .27589 0 .88055 1 .41937 0.39973 1 .15357 1 .56945 0 .52554 1 .40348 1 .66910 710

720 0 .26751 0 . 86079 1 .40632 0.38926 1 . 13169 I .55922 0 .51334 1 . 38019 1 .66100 720

730 0 .25940 0 .84148 1 . 39324 0.37910 1 .11025 1 . 54893 0 .50146 1 . 35734 1 .65284 730

740 0 .25156 0 .82261 1 .38012 0.36923 1 .08925 1 . 53858 0 .48989 1 .33491 1 .64462 740

750 0 .24396 0 .80417 1 . 36698 0. 35964 1 .06867 1 .52818 0 .47862 1 .31289 1 .63633 750

760 0 .23662 0 .78616 1 . 35380 0. 35032 1 .04849 1 .51772 0 .46764 1 .29127 1 .62798 760

770 0 .22950 0 .76854 1 .34061 0.34126 1 .02872 1 .50720 0 .45694 1 . 27004 1 .61957 770

780 0.22261 0 .75133 1 . 32740 0. 33246 1 .00934 1 . 49664 0 .44652 1 .24920 1.61111 780

790 0 .21594 0 .73451 1 .31418 0. 32390 0 .99034 1 .48603 0 .43636 1 .22873 1 .60259 790

800 0 .20948 0 .71806 1 .30094 0.31558 0 .97172 1 .47538 0 .42646 1 .20862 1 .59402 800

810 0 .20322 0 .70198 1 .28771 0.30750 0 .95346 1 .46468 0 .41680 1 .18887 1 .58540 810

820 0 .19716 0 .68626 I .27447 0.29963 0 .93555 1 .45395 0 .40739 I . 16947 1 .57672 820

830 0 . 19129 0 .67089 1 .26123 0.29198 0.91799 1 .44318 0 .39821 1 .15042 1 .56800 830

840 0 . 18560 0 .65587 1 .24799 0.28454 0 .90077 1 .43238 0 .38926 1 . 13169 1 .55922 840

850 0 . 18009 0 .64117 1 .23477 0.27731 0 .88389 1 .42154 0 .38053 1 .11329 1 .55041 850

860 0 . 17475 0 .62681 1 .22156 0.27027 0 .86732 1 .41068 0 .37202 1 .09521 1 .54155 860

870 0 . 16958 0 .61276 1 .20836 0.26342 0.85108 1 .39979 0 .36371 1 .07744 1 .53264 870

880 0 . 16456 0 .59903 1 .19518 0.25676 0 .83514 1 .38887 0 .35561 1 .05997 1 .52370 880

890 0 .15970 0 .58560 1 .18202 0.25027 0.81951 1 .37793 0 .34770 1 .04281 1 .51472 890

900 0 . 15499 0 .57246 1 . 16889 0.24396 0 .80417 1 .36698 0 .33999 I .02593 1 .50570 900

910 0.15042 0 .55962 1 .15579 0.23782 0 .78913 1 .35600 0 .33246 1 .00934 1 .49664 910

920 0 . 14600 0 .54706 1 .14272 0.23185 0 .77437 1 .34501 0 .32511 0 .99304 1 .48755 920

930 0 .14170 0 .53478 1 .12968 0.22603 0 .75989 1 .33401 0 .31794 0 .97700 1 .47843 930

940 0 .13754 0 .52276 1 .11668 0.22036 0 .74568 1 .32299 0 .31093 0 .96124 1 .46927 940

950 0 .13351 0 .51102 1 .10372 0.21485 0 .73174 1 .31197 0.30410 0 .94574 1 .46009 950

960 0 .12959 0 .49953 1 -09080 0.20948 0 .71806 1 .30094 0 .29742 0 .93050 1 .45088 960

970 0. 12580 0 .48829 1 .07793 0.20425 0 .70463 1 .28991 0 .29091 0 .91551 1 .44164 970

980 0 .12212 0 .47730 1 .06511 0.19916 0 .69146 1 .27888 0 .28454 0 .90077 1 .43238 980

990 0 .11855 0 .46655 1 .05234 0. 19420 0 .67853 1 .26785 0 .27833 0 -88628 1 .42309 990

1000 0. 11509 0. 45604 1. 03962 0. 18938 0. 66585 1. 25682 0. 27226 0. 87202 1 .41378 1000

1010 0. 11173 0. 44576 I. 02696 0. 18467 0.65339 1. 24579 0. 26633 0. 85800 1 .40446 1010

1020 0. 10847 0. 43570 1. 01435 0. 18009 0. 64117 1. 23477 0. 26054 0. 84421 1 .39511 1020

1030 0. 10531 0. 42586 1. 00181 0. 17563 0. 62918 1. 22376 0. 25489 0. 83064 1 .38575 1030

1040 0. 10225 0. 41625 0. 98933 0. 17129 0. 61741 1. 21276 0. 24936 0. 81730 1 .37637 1040

1050 0. 09927 0. 40684 0. 97691 0. 16705 0.60586 1. 20177 0. 24396 0.80417 1 .36698 1050

1060 0. 09639 0. 39764 0. 96456 0. 16293 0. 59452 I. 19079 0. 23869 0. 79126 1 .35757 1060

1070 0. 09359 0. 38864 0. 95228 0. 15891 0. 58339 1. 17983 0. 23354 0. 77856 1 .34815 1070

1080 0. 09087 0. 37984 0. 94007 0.15499 0. 57246 1. 16889 0. 22850 0. 76606 1 .33872 1080

1090 0. 08823 0. 37123 0. 92793 0. 15118 0. 56174 1. 15797 0. 22358 0. 75377 1 .32929 1090

134
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

V

-1 cm

_(Fc -e°)/t

u

T

s°

= 500.

c°

p

-(F°-e°)/t

T=

S°

600.

C°

iP -(F°-e°)/t

T

s°

= 700.

C°

n

v V

-1

Clfl.

1 100 0. 08568 0 . 36281 0 .91587 0. 14746 0. 55 122 1 . 14707 0. 21877 0 .74167 1 .31985 1100

1110 0 • 08320 0 .35457 0 . 90388 0. 14383 0. 54088 1 .13619 0. 2 1407 0 . 72977 1 . 3 1040 1110

1120 0 . 08079 0 . 34652 0 .89197 0. 14030 0. 53074 1 .12534 0. 20948 0 . 7 1806 1 . 30095 1 120

1130 0. 07845 0 .33864 0 . 88014 0. 13686 0. 52079 I . 11452 0. 20499 0 . 70654 1 . 29 149 1 130

1140 0. 07618 0 .33094 0 .86839 0. 13351 0. 51 102 1 . 10372 0. 20060 0 .69520 1 .28203 1 140

1150 0. 07398 0 .32341 0 . 85673 0. 13024 0. 50142 1 . 09295 0. 19631 0 .68404 1 .27257 1150

1 160 0

07184 0 .31604 0 .84515 0. 12705 0. 49201 I .08222 0

19212 0 . 67307 1 .26312 1 160

1170 0. 06977 0 .30884 0 . 83365 0. 12394 0.48276 1 .07151 0. 18802 0 . 66226 1 .25366 1170

1180 0. 06775 0.30179 0 . 82224 0 . 12092 0. 47369 i . 06085 0. 184C1 0 .65163 1 .24421 1180

1190 0. 06580 0 .29490 0 .81 092 01 1796 0. 46478 1 .05021 0. 18009 0 .64117 1 .23477 1 190

1200 0. 06390 0 .28816 0 . 79969 0. 11509 0.45604 1 .03962 0. 17626 0 .63088 1 .22533 1200

1210 0. 06206 0 .28157 0 .78854 0. 1 1228 0. 44745 1 .02906 0. 17252 0 .62075 1 .21590 1210

1220 0.06028 0 .27512 0 .77749 0. 10955 0. 43903 1 .01855 0. 16885 0 .61078 1 .20647 1220

1230 0. 05854 0 .26882 0 .76653 0. 10688 0. 43076 1 .00807 0. 16527 0 .60097 1 . 19706 1230

1240 0. 05686 0 .26266 0 .75567 0. 10428 0. 42263 0 .99764 0. 16177 0 .59132 1 .18766 1240

1250 0 .05522 0.25663 0 .74490 0.10174 0 .41466 0 .98725 0 .15834 0 .58182 1 .17827 1250

1260 0 .05363 0 .25074 0 .73422 0.09927 0 .40684 0 .97691 0 .15499 0 .57246 I .16889 1260

1270 0 .05209 0 .24498 0 .72364 0.09686 0 .39916 0 .96661 0 .15171 0 .56326 1 .15953 1270

1280 0 .05059 0 .23934 0 .71315 0.09451 0 . 39161 0 .95636 0 . 14851 0 .55420 1 . 15018 1280

1 1 rt A 1290 0 .04914 0 .23383 0.70276 0 . 38421 0 .94616 0 .14538 0 .54529 1 .14085 1 "ion

1300 0 .04773 0 .22845 0 .69247 0.08998 0 .37694 0 .93601 0 .14231 0 .53651 I .13154 1300

1310 0 .04636 0 .22318 0 .68228 0.08780 0. 36981 0 .92591 0 .13931 0 .52788 1 .12225 1310

1320 0 .04503 0 .21803 0 .67218 0.08568 0 .36281 0 .91587 0. 13638 0 .51938 1 . 11297 1320

1330 0 .04374 0 .21299 0 .66219 0.08360 0 .35593 0 .90587 0 .13351 0 .51102 1 .10372 1330

1340 0 .04249 0 .20807 0 .65229 0.08158 0 .34918 0 .89593 0 .13070 0 .50278 1.09449 1340

1350 0 .04127 0 .20326 0.64250 0.07961 0 . 34256 0 .88605 0 .12795 0 .49468 1 .08528 1350

1360 0 .04008 0 . 19855 0 .63280 0.07769 0 .33606 0 .87622 0 . 12527 0 .48670 1 .07610 1360

1370 0 .03894 0. 19395 0 .62321 0.07581 0 .32967 0 .86644 0 . 12264 0 .47885 1 .06694 1370

1380 0 .03782 0 .18945 0 .61371 0.07398 0 .32 341 0 .85673 0 .12007 0 .47113 1 .05781 1380

1390 0 .03674 0 .18506 0.60432 0.07219 0 .31726 0 .84707 0 .11755 0 .46352 1 .04870 1390

1400 0 .03569 0 . 18076 0 .59502 0.07045 0 .31122 0 .83747 0 .11509 0 .45604 1 .03962 1400

1410 0 .03467 0 .17655 0 .58583 0.06875 0 . 30529 0 .82793 0 .11268 0 .44867 1 .03057 1410

1420 0 .03367 0 . 17245 0 . 57674 0.06710 0 .29947 0 .81846 0.11032 0 .44142 1 .02155 1420

1430 0 .03271 0 . 16843 0 .56775 0.06548 0 .29376 0 .80904 0 .10801 0 .43428 1 .01256 1430

1440 0 .03178 0 .16451 0 .55886 0.06390 0.28816 0 .79969 0 . 10576 0.42726 1 .00360 1440

1450 0 .03087 0 .16067 0 .55007 0.06237 0 .28266 0 .79039 0 .10355 0 .42034 0 .99467 1450

1460 0 .02999 0 .15692 0 .54139 0.06087 0 .27726 0 .78117 0 .10139 0 .41354 0 .98577 1460

1470 0.02913 0 .15325 0 .53280 0.05940 0.27196 0.77200 0 .09927 0 .40684 0 .97691 1470

1480 0 .02830 0 .14967 0 .52432 0.05797 0 .26675 0 .76290 0 .09720 0 .40024 0 .96808 1480

1490 0 .02749 0 .14617 0 .51593 0.05658 0 .26165 0 .75387 0 .09518 0 .39376 0 .95929 1490

1500 0 .02670 0 . 14274 0 .50765 0.05522 0 .25663 0 .74490 0 .09319 0 .38737 0 .95053 1500

1510 0 .02594 0 .13940 0 .49946 0.05389 0 .25171 0 .73599 0 .09125 0 .38108 0 .94181 1510

1520 0 .02520 0 .13613 0 .49138 0.05260 0 .24688 0.72715 0 .08935 0 .37489 0 .93312 1520

1530 0 .02448 0 .13293. 0 .48339 0.05134 0 .24214 0 .71838 0 .08750 0 .36880 0 .92448 1530

1540 0 .02378 0 .12981 0 .47550 0.05011 0 .23749 0 .70968 0 .08568 0 .36281 0 .91587 1540

1550 0.02310 0 .12675 0 .46772 0.04890 0 .23293 0 .70104 0 .08390 0 .35691 0 .90730 1550

1560 0 .02244 0 .12377 0 .46003 0.04773 0 .22845 0 .69247 0 .08215 0 .35110 0 .89877 1560

1570 0 .02180 0 .12086 0 .45244 0.04659 0 .22405 0 .68397 0 .08045 0 .34538 0 .89028 1570

1580 0 .02118 0 .11801 0 .44494 0.04547 0 .21973 0 .67554 0.07878 0 .33976 0 .88183 1580

1590 0.02058 0.11522 0 .43754 0.04438 0 .21550 0 .66717 0 .07714 0 . 33422 0.87342 1590

135
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

V -(f°-e°)/t S° C° -(F°-E°)/T S° CO -(f°-e°)/t s° cm

1 - 5UU1 = 600. T= 700 .

1600 0. 01999 0 .11250 0. 43024 0 .04332 0. 21134 0. 65888 0. 07555 0. 32877 0. 86505 1600

1610 0. 01942 0 . 10984 0. 42304 0 .04228 0. 20726 0. 65065 0. 07398 0. 32341 0. 85673 1610

1 ^ "5 A U • A 1 Q O 7 u

1 /*\ "7 T C r\U . 41 593 0 .04127 0. 20326 0. 64250 0. 07 245 0. 31813 0 . 84845 1620

i o ju U • n 1 Q a "a U I 0 J 3 U

r\U .

/. D O Q 1 U 0. 19933 0. 63441 U .

"7 n n c U f 095 0 . 312 9 3 0 . 8402 1 1630

0. 01781 U u

n 0. 19547 0. 62639 U . 06948 0T A "7 O O 30 782 0 . 83202 1640

1 A *i n 0. 01730 U • U V y o i u

J 7 5 1 » U

Oil Q 1 Q 0. 19169 0. 61845 0 . 06 804 0 . 1 A o "7 r» 302 79 0. 82387 1650

1660 0. 01681 0 .09744 0. 38843 0 0. 18798 0.61057 0. 06663 0. 29783 0. 81576 1660

1670 0. 01633 0 .09513 0. 38179 0 .03656 0. 18433 0. 60276 0. 06525 0. 29296 0. 80770 1670

1680 0. 01586 0 .09287 0. 37524 0 .03569 0. 18076 0. 59502 0. 06390 0. 28816 0. 79969 1680

1690 0. 01541 0 .09066 0. 36878 0 .03483 0. 17725 0. 58736 0. 06258 0. 28344 0. 79172 1690

1700 0. 01497 0 .08850 0. 36241 0 .03400 0. 17381 0. 57976 0. 06129 0. 27879 0. 78380 1700

1710 0. 01455 0 .08639 0. 35614 0 .03319 0. 17043 0. 57223 0. 06002 0. 27422 0. 77592 1710

1720 0.01413 0 .08434 0. 34995 0 .03240 0. 16711 0. 56478 0. 05878 0. 26971 0. 76809 1720

1730 0. 01373 0 .08233 0. 34385 0 .03162 0. 16386 0. 55739 0. 05757 0. 26528 0. 76031 1730

1740 0. 01334 0 .08036 0. 33783 0 .03087 0. 16067 0. 55007 0. 05638 0. 26092 0. 75258 1740

CO

P -1

1750 0 .01296 0 .07844 0. 33191 0.03013 0. 15754 0.54283 0 .05522 0. 25663 0.74490 1750

1760 0 .01259 0 .07657 0. 32607 0.02941 0. 15446 0. 53565 0 .05408 0. 25241 0.73726 1760

1770 0 .01223 0 .07474 0. 32031 0.02871 0. 15145 0. 52855 0 .05297 0. 24825 0.72967 1770

1780 0 .01 189 0 .07295 0. 31464 0.02802 0. 14849 0. 52151 0 .05187 0. 24416 0.72213 1780

1790 0 .01155 0 .07120 0. 30906 0.02736 0. 14559 0. 51454 0 .05081 0. 24014 0.71464 1790

1800 0. 01122 0.06949 0. 30356 0.02670 0. 14274 0.50765 0. 04976 0. 23618 0. 70720 1800

1810 0. 01090 0.06783 0. 29814 0.02607 0. 13995 0.50082 0. 04873 0. 23228 0. 69981 1810

1820 0. 01059 0.06620 0. 29280 0.02544 0.13721 0.49406 0. 04773 0. 22845 0. 69247 1820

1830 0. 01029 0.06461 0. 28754 0.02484 0. 13452 0.48737 0. 04675 0. 22467 0. 68518 1830

1840 0. 01000 0.06306 0. 28236 0.02425 0. 13188 0.48075 0. 04579 0. 22096 0. 67794 1840

1850 0. 00971 0. 06154 0. 27726 0. 02367 0. 12929 0. 47420 0. 04484 0. 21730 0.67075 1850

1860 0. 00944 0. 06006 0. 27224 0. 02310 0. 12675 0. 46772 0. 04392 0. 21371 0.66361 1860

1870 0. 00917 0. 05861 0. 26730 0. 02255 0. 12426 0. 46130 0. 04302 0. 21017 0.65652 1870

1880 0. 00891 0. 05720 0. 26243 0. 02202 0. 12182 0. 45495 0. 04213 0. 20668 0.64948 1880

1890 0. 00865 0. 05582 0. 25764 0. 02149 0. 11942 0. 44868 0. 04127 0. 20326 0.64250 1890

1900 0.00841 0. 05447 0.25293 0.02098 0. 11707 0. 44246 0. 04042 0. 19989 0.63556 1900

1910 0.00817 0. 05316 0.24829 0.02048 0. 11477 0. 43632 0. 03959 0. 19657 0.62868 1910

1920 0.00794 0. 05187 0.24372 0.01999 0. 11250 0. 43024 0. 03878 0. 19330 0.62184 1920

1930 0.00771 0. 05062 0.23923 0.01952 0. 11028 0. 42423 0. 03798 0. 19009 0.61506 1930

1940 0.00749 0. 04939 0.23480 0.01905 0. 10811 0. 41829 0. 03720 0. 18693 0.60833 1940

1950 0 .00728 0 .04820 0. 23045 0. 01860 0. 10597 0.41241 0. 03644 0. 18382 0. 60165 1950

1960 0 .00707 0 .04703 0. 22617 0. 01816 0. 10388 0.40660 0. 03569 0. 18076 0. 59502 1960

1970 0 .00687 0 .04589 0. 22196 0. 01772 0. 10182 0.40085 0. 03495 0. 17775 0. 58845 1970

1980 0 .00668 0 .04478 0. 21781 0. 01730 0. 09981 0.39517 0. 03424 0. 17478 0. 58192 1980

1990 0 .00649 0 .04369 0. 21374 0. 01689 0. 09783 0.38955 0. 03354 0. 17187 0. 57545 1990

2000 0 .00630 0 .04263 0. 20973 0. 01649 0. 09589 0.38399 0. 03285 0. 16900 0. 56903 2000

2010 0 .00612 0 .04159 0.20579 0. 01610 0. 09399 0.37850 0. 03217 0. 16618 0. 56266 2010

2020 0 .00595 0 .04058 0. 20191 0. 01571 0. 09213 0.37308 0. 03151 0. 16340 0. 55634 2020

2030 0 .00578 0 .03959 0.19809 0. 01534 0. 09030 0.36771 0.03087 0. 16067 0. 55007 2030

2040 0 .00562 0 .03863 0. 19434 0. 01497 0. 08850 0.36241 0. 03023 0. 15798 0. 54386 2040

2050 0 .00546 0 .03769 0. 19066 0. 01462 0. 08674 0.35718 0. 02961 0. 15534 0. 53770 2050

2060 0 .00530 0 .03677 0. 18703 0. 01427 0. 08502 0.35200 0. 02901 (y. 15273 0. 53158 2060

2070 0.00515 0 .03587 0. 18347 0. 01393 0. 08332 0.34689 0. 02841 0. 15017 0. 52552 2070

2080 0 .00500 0 .03500 0. 17996 0.01360 0. 08167 0.34183 0. 02783 0. 14766 0. 51951 2080

2090 0 .00486 0 .03414 0. 17652 0. 01328 0. 08004 0.33684 0. 02726 0. 14518 0. 51355 2090

136
V

cm

-1

Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

-(f°-e°)/t s° c°

p

-(f°-e°)/t s° 0° (F°-Eo)/T s° c°

p

V

cm

T= 500. 600. T= 700.

2100 0.00472 0. 03331 0 • 17313 0. 01296 A A "7 D / / 0.0 7 844 A T 1 1 A 1 0.33191 0. 02670 0. 1 y o "7 / 142 74 f\ e A "7 A c 0. 50765 2100

2110 0. 00459 0. 03249 0. 16980 0. 01265 0.0 7688 0. 32704 0. 02616 0 . 14034 0.50179 2110

2120 0 . 00446 0. 03170 0. 16653 0. 01235 0. 07534 0.32222 0. 02562 0. 13799 0.49598 2120

Z130 0.03092 0. 16332 0.01206 A A "7 ^ Q A 0 . 0 « 3oH A T 1 "7 / "F 0.31 IHt 0. 02510 0 .

1 C A ~7 1 3 56 1 A y A A O "5 0 .49023 2130

2140 0.00421 0.03016 0. 16016 0. 01177 0.07236 0.31277 0. 02458 0. 13338 0.48453 2140

9 1 ^ 1 0. 02942 0. 15705 0. 01149 u • u * U V 1 AU» >9UA O 1 A O 1 H 0. 02408 Au .11 o9

11

11 A*f A A 7 O P 7 Z 1 9U

9 1 AH U • UU J 7 f 0. 02870 0. 15400 0.01122 U • UOA ^ n "2 R A U • 9U 5 9 O 0. 02359 AU .

1 o Q Q a n AT 1 9 7 £.9 1i AAOU

0 ^ ~i r\

t. L f yj U • UU JO o 0. 02800 0. 15101 0. 01095 A AA Q 1

u • Uo o 1

A 9 Q Q A 1 0. 02310 Au •

1 9 A 7 A A A 7 7 9 U . HO ltd Z9 11 7Af U

^9 1I nnou 0.02731 0. 14806 0. 01069 U

A • AUooA A 7/ A*t n 9 Q A 7 0. 02263 0. 12462 A A A 9 9 1 U . HO CC. I 9 1 Q A C 1 oU

2190 0.00365 0. 02664 0. 14517 0. 01044 0.06540 0.29016 0. 02217 0. 12251 0.45676 2190

U • UU J _/*T 0. 02598 0. 14233 0. 01019 U • UO*f U 7 U • £. O -> o u 0.02171 0. 12044 nU • A R9

11 9 AO A^UU

\.\J U • UU 9*T0.02534 0. 13954 0. 00995 nU • AUo^A 9 onou A 9 a 1 c 1 U • ^ O 1 !) 1 0. 02127 0. 11841 A A AA A 1 U • HHOU

A <i lU

9 9 9n U • UU O jH 0.02472 0. 13680 0. 00971 AU • AU

AO11 R A A 9 '7 7 9 A 0. 02084 0. 11641 U . H*tU /O 9 9 A

C.C. U • UU D 0. 02411 0. 13410 0.00948 A A A A "3 A U • UoU 9 U A 9 7 :l A 7 U • ^ 1 3 U f 0.02041 0. 11444 A A 9 A G U • 49!>4t) O 9 A 2 2 3u

2240 0.00316 0. 02352 0.13146 0. 00926 0,05909 0.26894 0. 01999 0. 11250 0.43024 2240

r\ n n 1 n T U . UU JU 1 0. 02294 0. 12886 0. 00904 A A C "7 A A 0.05 f 90 0. 26486 0. 01958 0. 11060 0 .42509 2250

o o A n n o f~i T o o U. UU^CVO 0.02237 0. 12631 0. 00882 A A C "7 / 0. 05674 0. 26083 0. 01918 0. 10872 0.41998 2260

£.£. lU 0. 02182 0.12380 0. 00861 0. 05559 0. 25685 0. 01879 0. 10688 0.41492 2270

O ^ O U . UU^O I 0. 02128 0. 12134 0. 00841 0. 05447 0. 25293 0. 01841 0.10507 0.40991 2280

2290 0.00273 0.02076 0. 11893 0. 00821 0.05337 0.24906 0. 01803 0. 10329 0.40495 2290

o 1 n r\ 0 . 0U2oo 0. 02024 0. 11656 0. 00801 0. 05230 0. 24524 0. 01766 0. 10153 0.40003 2300

0. UUZdo 0. 01974 0. 11423 0. 00782 0. 05 124 0.24147 0. 01730 0. 09981 0. 39517 2310

O o 9 n 0 . 002 5

0. 01925 0. 11194 0. 00764 0. 0502

0. 23774 0. 01695 0. 09811 0. 39035 2320

U . UU ^H** 0. 01878 0. 10970 0. 00746 A A /. A 1 O 0

0h9 1

A O 1 A A "7 0. 23407 0. 01660 0.09644 0. 38557 2330

2340 0.00237 0. 01831 0. 10750 0.00728 0.04820 0.23045 0. 01626 0. 09480 0.38085 2340

U . UU £. i\j 0. 01786 0. 10534 0.00711 A A / "7 *> 1 A 1 A O O 0. 22688 0. 01593 0.09319 0.37617 2350

^90U r\ n A o o "J U . UU^ ^ i 0. 01742 0. 10322 0. 00694 0. 04627 0.22 335 0. 01560 0. 09160 0. 37154 2360

A A A O 1 7 U . UU^ 1

0. 01698 0. 10113 0. 00677 0. 04533 0.21988 0. 01529 0. 09004 0. 36695 2370

9 H Q A A A A O 1 1 U . UU2 1

0. 01656 0.09909 0.00661 0. 04441 0. 21645 0. 01497 0. 08850 0.36241 2380

2390 0.00205 0. 01615 0. 09708 0. 00646 0.04351 0.21307 0. 01467 0.08699 0.35792 2390

U • UU 1 V0. 01575 0. 09511 0. 00630 0. 04263 0. 20973 0. 01437 0. 08551 0.35347 2400

^A 1 ri iU 0 • UU 193 0. 01536 0. 09318 0. 00615 0. 04176 0. 20644 0. 01408 0. 08405 0.34907 2410

n A A 1 O Q 0 • UU 188 0.01498 0. 09129 0. 00601 0. 04091 0.20319 0.01379 0. 08261 0.34471 2420

n A A 1 O 1 0.00 183 0. 01460 0. 08943 0. 00586 0. 04008 0. 19999 0. 01351 0. 08120 0. 34040 2430

2440 0.00177 0.01424 0. 08760 0. 00572 0.03927 0. 19684 0. 01323 0. 07981 0.33613 2440

0 . 00 172 0.01389 0. 08581 0.00559 0. 03847 0. 19372 0. 01296 0. 07844 0.33191 2450

o y. A

0 . 00 168 0. 01354 0. 08406 0. 00546 0. 03769 0. 19066 0. 01270 0. 07710 0.32773 2460

9 A "7 r\ 0.00163 0. 01320 0. 08233 0. 00533 0. 03692 0. 18763 0. 01244 0. 07578 0. 32359 2470

9 A Q n 0.00158 0. 01287 0. 08064 0. 00520 0.03617 0. 18465 0. 01218 0. 07448 0.31950 2480

9 A-On A A A 1 C /. U . UU I 3H 0. 01255 0. 07899 0. 00508 0. 03543 0. 18171 0. 01193 0. 07320 0. 31545 2490

2500 0.00149 0. 01224 0. 07736 0. 00496 0.03471 0.17881 0. 01169 0. 07194 0.31144 2500

2510 0.00145 0. 01193 0. 07576 0.00484 0.03400 0. 17595 0.01145 0. 07071 0.30748 2510

2520 0.00141 0. 01163 0. 07420 0. 00472 0.03331 0.17313 0. 01122 0. 06949 0.30356 2520

2530 0.00137 0. 01134 0. 07267 0. 00461 0.03263 0. 17035 0. 01099 0. 06830 0.29968 2530

2540 0.00133 0. 01106 0. 07116 0. 00450 0.03196 0.16762 0. 01077 0- 06713 0.29584 2540

2550 0.00129 0. 01078 0. 06969 0. 00440 0.03131 0.16492 0. 01055 0. 06597 0.29204 2550

2560 0.00126 0. 01051 0. 06824 0. 00429 0.03067 0.16226 0. 01033 0. 06483 0.28829 2560

2570 0.00122 0. 01025 0. 06682 0.00419 0.03004 0. 15964 0. 01012 0. 06372 0.28457 2570

2580 0.00119 0. 00999 0. 06543 0.00409 0.02942 0. 15705 0. 00991 0. 06262 0.28090 2580

2590 0.00115 0. 00974 0. 06406 0. 00399 0.02882 0.15451 0. 00971 0. 06154 0.27726 2590

638951 O - 62 - 10

137
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

V _(Fo_eo)/t s° C° -(F°-E°)/T S° C° -(F°-Eg)/T S° cm

T= 500. T= 600. T= 700.

2600 0. 00112 0. 00950 0, 06273 0. 00390 0.02823 0. 15200 0. 00951 0. 06048 0. 27367 2600

2610 0. 00109 0. 00926 0. 06141 0. 00381 0.02765 0. 14953 0. 00932 0. 05943 0. 27011 2610

2620 0. 00106 0. 00903 0. 06013 0. 00372 0.02708 0. 14709 0. 00913 0. 05841 0. 26660 2620

2630 0- 00103 0. 00880 0. 05887 0. 00363 0.02653 0. 14469 0. 00894 0. 05740 0. 26312 2630

2640 0. 00100 0.00858 0. 05763 0. 00354 0.02598 0. 14233 0. 00876 0. 05641 0. 25969 2640

2650 0. 00097 0. 00836 0.05642 0.00346 0.02545 0. 14000 0.00858 0. 05543 0. 25629 2650

2660 0. 00094 0. 00815 0. 05523 0. 00338 0.02493 0. 13770 0. 00841 0. 05447 0. 25293 2660

2670 0. 00092 0. 00795 0. 05407 0. 00330 0.02441 0. 13544 0. 00824 0. 05353 0.24961 2670

2680 0. 00089 0. 00775 0. 05293 0. 00322 0.02391 0. 13322 0. 00807 0. 05260 0. 24632 2680

2690 0. 00086 0. 00755 0. 05181 0. 00314 0.02342 0. 13102 0. 00790 0. 05169 0. 24307 2690

CO

p

V

-1

2700 0 .00084 0. 00736 0. 05071 0. 00307 0. 02294 0. 12886 0.00774 0. 05080 0. 23986 2700

2710 0 .00082 0. 00718 0. 04964 0. 00299 0. 02247 0. 12673 0. 00758 0. 04992 0. 23669 2710

2720 0 .00079 0. 00700 0. 04859 0. 00292 0. 02200 0. 12463 0. 00743 0. 04905 0. 23355 2720

2730 0 .00077 0. 00682 0. 04756 0. 00285 0. 02155 0. 12257 0. 00728 0. 04820 0. 23045 2730

2740 0 .00075 0. 00665 0. 04655 0. 00279 0. 02111 0. 12053 0. 00713 0. 04736 0. 22739 2740

2750 0.00073 0. 00648 0. 04555 0.00272 0. 02067 0. 11853 0. 00699 0. 04654 0. 22436 2750

2760 0 .00071 0.00632 0. 04458 0. 00266 0. 02024 0. 11656 0. 00684 0. 04573 0. 22136 2760

2770 0 .00069 0. 00616 0. 04363 0. 00259 0. 01983 0. 11462 0. 00670 0. 04493 0. 21840 2770

2780 0 .00067 0. 00600 0. 04270 0. 00253 0. 01942 0. 11270 0. 00657 0, 04415 0. 21548 2780

2790 0 .00065 0. 00585 0. 04179 0. 00247 0. 01901 0. 11082 0. 00643 0. 04338 0. 21259 2790

2800 0 .00063 0. 00570 0. 04089 0.00241 0.01862 0. 10896 0. 00630 0.04263 0.20973 2800

2810 0 .00061 0. 00556 0. 04002 0.00236 0.01824 0. 10714 0. 00617 0.04189 0.20691 2810

2820 0 .00059 0. 00542 0. 03916 0.00230 0.01786 0. 10534 0. 00605 0.04116 0.20412 2820

2830 0 .00058 0. 00528 0. 03832 0.00225 0.01749 0. 10357 0. 00592 0.04044 0.20136 2830

2840 0 .00056 0. 00515 0. 03749 0.00219 0.01713 0.10182 0. 00580 0.03973 0. 19863 2840

2850 0.00055 0.00502 0. 03669 0. 00214 0.01677 0. 10011 0. 00569 0. 03904 0. 19594 2850

2860 0.00053 0.00489 0. 03590 0. 00209 0.01642 0. 09842 0. 00557 0. 03836 0. 19328 2860

2870 0.00051 0.00477 0. 03512 0. 00204 0.01608 0. 09675 0. 00546 0. 03769 0. 19066 2870

2880 0.00050 0.00465 0. 03436 0. 00199 0.01575 0. 09511 0. 00535 0. 03703 0. 18806 2880

2890 0.00049 0.00453 0. 03362 0. 00194 0.01542 0. 09350 0. 00524 0. 03638 0. 18550 2890

2900 0.00047 0.00441 0. 03289 0.00190 0.01510 0.09192 0. 00513 0.03574 0. 18296 2900

2910 0.00046 0.00430 0. 03218 0.00185 0.01479 0.09035 0. 00503 0.03512 0. 18046 2910

2920 0.00045 0.00419 0. 03148 0.00181 0.01448 0.08882 0. 00492 0.03450 0. 17799 2920

2930 0.00043 0.004C9 0. 03080 0.00177 0.01418 0.08730 0. 00482 0.03390 0. 17554 2930

2940 0.00042 0.00398 0. 03013 0.00172 0.01389 0.08581 0. 00472 0.03331 0. 17313 2940

2950 0.00041 0.00388 0. 02947 0.00168 0.01360 0.08435 0. 00463 0.03272 0. 17075 2950

2960 0.00040 0.00378 0.02883 0.00164 0.01331 0.08290 0.00453 0.03215 0. 16839 2960

2970 0.00039 0.00369 0.02820 0.00160 0.01304 0.08148 0. 00444 0.03158 0. 16607 2970

2980 0.00038 0.00359 0. 02759 0.00157 0.01276 0.08009 0. 00435 0.03103 0. 16377 2980

2990 0.00036 0.00350 0. 02698 0.00153 0.01250 0.07871 0. 00426 0.03049 0. 16151 2990

3000 0. 00035 0.00341 0.02639 0. 00149 0.01224 0.07736 0.00418 0. 02995 0. 15927 3000

3010 0. 00034 0.00332 0.02582 0. 00146 0.01198 0.07603 0.00409 0. 02942 0. 15705 3010

3020 0. 00033 0.00324 0.02525 0. 00142 0.01173 0.07472 0.00401 0. 02891 0. 15487 3020

3030 0. 00032 0.00316 0.02470 0. 00139 0.01149 0.07343 0.00393 0. 02840 0. 15271 3030

3040 0. 00032 0.00308 0.02416 0. 00136 0.01125 0.07216 0.00385 0. 02790 0. 15058 3040

3050 0 .00031 0 .00300 0. 02362 0.00132 0.01101 0.07091 0. 00377 0. 02741 0. 14848 3050

3060 0 .00030 0 .00292 0. 02311 0.00129 0.01078 0.06969 0. 00369 0. 02692 0. 14640 3060

3070 0 .00029 0 .00285 0. 02260 0.00126 0.01056 0.06848 0. 00362 0. 02645 0. 14435 3070

3080 0 .00028 0 .00277 0. 02210 0.00123 0.01034 0.06729 0. 00354 0. 02598 0. 14233 3080

3090 0 .00027 0 .00270 0. 02161 0.00120 0.01012 0.06612 0. 00347 0. 02553 0. 14033 3090

138
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

-1

(F°-Eg)/T S° C°P -(f°-e°)/t S° C°

P (fo-e°)/t so CO

P -1 cm

T= 500. T = 600. T= 700.

3100 0. 00027 0. 00263 0. 02113 0. 00117 0. 00991 0. 06497 0. 00340 0.02508 0. 13836 3100

3110 0. 00026 0.00257 0. 02067 0.00115 0. 00970 0. 06384 0. 00333 0.02463 0. 13641 3110

3120 0. 00025 0- 00250 0. 02021 0. 00112 0.00950 0.06273 0. 00326 0.02420 0.13448 3120

3130 0. 00024 0. 00244 0. 01976 0. 00109 0. 00930 0. 06163 0. 00320 0.02377 0. 13259 3130

3140 0. 00024 0. 00238 0. 01933 0. 00107 0. 00910 0. 06055 0.00313 0.02335 0. 13071 3140

3150 0. 00023 0. 00231 0. 01890 0. 00104 0. 00891 0. 05949 0. 00307 0.02294 0. 12886 3150

3160 0. 00022 0. 00226 0. 01848 0. 00102 0. 00873 0.05845 0. 00300 0.02253 0. 12703 3160

3170 0. 00022 0. 00220 0. 01807 0. 00099 0. 00854 0. 05743 0. 00294 0.02213 0. 12523 3170

3180 0. 00021 0. 00214 0. 01767 0. 00097 0.00836 0. 05642 0. 00288 0.02174 0. 12345 3180

3190 0. 00021 0.00209 0. 01727 0. 00095 0. 00819 0. 05543 0. 00282 0.02136 0. 12169 3190

3200 0.00020 0 .00203 0.01689 0.00092 0.00802 0.05445 0.00277 0. 02098 0. 11996 3200

3210 0.00019 0 .00198 0.01651 0.00090 0.00785 0.05350 0.00271 0. 02061 0. 11825 3210

3220 0.00019 0 .00193 0.01614 0.00088 0.00768 0.05255 0.00266 0. 02024 0. 11656 3220

3230 0.00018 0 .00188 0.01578 0.00086 0.00752 0.05163 0.00260 0. 01988 0. 11489 3230

3240 0.00018 0 .00183 0.01543 0.00084 0.00736 0.05071 0.00255 0. 01953 0. 11325 3240

3250 0 .00017 0. 00179 0. 01508 0.00082 0.00721 0. 04982 0.00250 0. 01919 0. 11162 3250

3260 0 .00017 0. 00174 0. 01475 0.00080 0.00706 0. 04894 0.00245 0. 01884 0. 11002 3260

3270 0 .00016 0. 00169 0. 01442 0.00078 0.00691 0. 04807 0.00240 0. 01851 0. 10844 3270

3280 0 .00016 0. 00165 0. 01409 0.00076 0.00676 0. 04722 0.00235 0. 01818 0. 10688 3280

3290 0 .00015 0. 00161 0. 01378 0.00074 0.00662 0. 04638 0.00230 0. 01786 0.10534 3290

3300 0. 00015 0.00157 0. 01347 0. 00073 0. 00648 0.04555 0.00225 0. 01754 0. 10382 3300

3310 0. 00015 0.00153 0. 01317 0. 00071 0. 00635 0.04474 0.00221 0. 01723 0. 10232 3310

3320 0. 00014 0.00149 0. 01287 0. 00069 0.00621 0.04395 0.00216 0. 01692 0. 10084 3320

3330 0. 00014 0.00145 0. 01258 0. 00068 0. 00608 0.04316 0.00212 0. 01662 0. 09938 3330

3340 0. 00013 0.00141 0. 01230 0. 00066 0. 00595 0.04239 0.00207 0. 01633 0. 09794 3340

3350 0. 00013 0.00138 0.01202 0. 00064 0.00583 0.04164 0.00203 0.01604 0. 09652 3350

3360 0. 00013 0.00134 0.01175 0. 00063 0.00570 0.04089 0.00199 0.01575 0. 09511 3360

3370 0. 00012 0.00131 0.01148 0. 00061 0.00558 0.04016 0.00195 0.01547 0. 09373 3370

3380 0. 00012 0.00127 0.01122 0. 00060 0.00547 0.03944 0.00191 0.01519 0. 09237 3380

3390 0. 00012 0.00124 0-01097 0. 00059 0.00535 0.03874 0.00187 0.01492 0. 09102 3390

3400 0. 00011 0.00121 0.01072 0. 00057 0.00524 0. 03804 0.00183 0. 01466 0.08969 3400

3410 0. 00011 0.00118 0.01048 0. 00056 0.00513 0. 03736 0. 00180 0. 01439 0.08838 3410

3420 0. 00011 0.00115 0.01024 0. 00055 0.00502 0. 03669 0. 00176 0. 01414 0.08709 3420

3430 0. 00010 0.00112 0.01001 0. 00053 0.00491 0. 03603 0. 00172 0. 01389 0.08581 3430

3440 0. 00010 0.00109 0.00978 0. 00052 0.00481 0.03538 0. 00169 0. 01364 0.08456 3440

3450 0. 00010 0. 00106 0.00956 0.00051 0.00471 0.03474 0. 00165 0.01339 0.08331 3450

3460 0. 00009 0. 00103 0.00934 0. 00050 0.00461 0.03411 0. 00162 0.01315 0.08209 3460

3470 0. 00009 0. OOlOl 0.00913 0. 00048 0.00451 0.03350 0. 00159 0.01292 0.08088 3470

3480 0. 00009 0. 00098 0.00892 0. 00047 0.00441 0.03289 0. 00156 0.01269 0.07969 3480

3490 0. 00009 0. 00095 0.00872 0. 00046 0.00432 0.03230 0. 00152 0.01246 0.07052 3490

3500 0.00008 0. 00093 0. 00852 0.00045 0.00423 0. 03171 0.00149 0. 01224 0.07736 3500

3510 0.00008 0. 00091 0. 00833 0.00044 0.00414 0. 03114 0.00146 0. 01202 0.07622 3510

3520 0.00008 0. 00088 0.00814 0.00043 0.00405 0. 03057 0.00143 0. 01180 0.07509 3520

3530 0.00008 0. 00086 0. 00795 0.00042 0.00396 0. 03002 0.00140 0. 01159 0.07398 3530

3540 0.00007 0. 00084 0. 00777 0.00041 0.00388 0. 02947 0.00138 0. 01138 0.07288 3540

3550 0.00007 0. 00082 0. 00759 0.00040 0.00380 0. 02894 0.00135 0. 01118 0.07180 3550

3560 0.00007 0. 00079 0. 00742 0.00039 0.00372 0. 02841 0.00132 0.01098 0.07074 3560

3570 0.00007 0. 00077 0. 00725 0.00038 0.00364 0. 02789 0.00129 0. 01078 0.06969 3570

3580 0.00007 0. 00075 0. 00708 0.00037 0.00356 0. 02739 0.00127 0. 01059 0.06865 3580

3590 0.00006 0. 00073 0. 00692 0.00036 0.00349 0. 02689 0.00124 0. 01040 0.06763 3590

139
Table 11 Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

V -(F°-E°)/T S° C° -(F0-E°)/T S° 0° -(F°-Eo)/T 3° cm

^

T= 500. T= 600. T= 700.

3600 0.00006 0.00072 0. 00676 0.00035 0.00341 0. 02639 0. 00122 0. 01021 0.06662 3600

3610 0.00006 0.00070 0. 00660 0.00035 0. 00334 0. 02591 0. 00119 0. 01003 0.06562 3610

3620 0.00006 0.00068 0.00645 0.00034 0. 00327 0. 02544 0. 00117 0. 00985 0.06464 3620

3630 0.00006 0.00066 0. 00630 0.00033 0.00320 0.02497 0-00114 0. 00967 0.06368 3630

3640 0.00006 0.00064 0. 00616 0.00032 0.00313 0. 02452 0. 00112 0. 00950 0.06273 3640

3650 0.00005 0.00063 0. 00602 0. 00031 0.00306 0. 02407 0. 00110 0. 00933 0.06179 3650

3660 0.00005 0.00061 0. 00588 0.00031 0. 00300 0. 02362 0. 00107 0. 00916 0.06086 3660

3670 0.00005 0.00060 0. 00574 0.00030 0. 00293 0. 02319 0. 00105 0. 00900 0.05995 3670

3680 0.00005 0.00058 0. 00561 0.00029 0.00287 0. 02276 0. 00103 0. 00883 0.05905 3680

3690 0.00005 0.00056 0. 00548 0.00029 0.00281 0. 02235 0. 00101 0. 00867 0.05816 3690

3700 0.00005 0.00055 0. 00535 0.00028 0.00275 0.02193 0. 00099 0. 00852 0.05728 3700

3710 0.00005 0.00054 0.00523 0.00027 0.00269 0. 02153 0. 00097 0. 00836 0.05642 3710

3720 0.00004 0.00052 0. 00511 0.00027 0. 00263 0. 02113 0. 00095 0. 00821 0.05557 3720

3730 0.00004 0.00051 0. 00499 0.00026 0.00258 0. 02074 0. 00093 0. 00807 0.05473 3730

3740 0.00004 0.00050 0. 00488 0.00025 0.00252 0. 02036 0.00091 0. 00792 0.05390 3740

3750 0.00004 0.00048 0.00476 0.00025 0. 00247 0. 01999 0. 00089 0. 00778 0.05309 3750

3760 0.00004 0. 00047 0. 00465 0.00024 0. 00242 0. 01962 0. 00087 0. 00764 0.05229 3760

3770 0.00004 0.00046 0. 00454 0.00024 0. 00236 0. 01925 0. 00086 0. 00750 0.05149 3770

3780 0.00004 0.00045 0. 00444 0.00023 0.00231 0. 01890 0. 00084 0. 00736 0.05071 3780

3790 0.00004 0.00043 0. 00434 0.00022 0.00226 0. 01855 0. 00082 0. 00723 0.04994 3790

3800 0.00004 0. 00042 0. 00424 0.00022 0 . \J\i2.7.c. 0. 01820 0. 00081 0. 00710 0 . 049 19

3810 0. 00003 0.00041 0. 00414 0.00021 0.00217 0. 01786 0. 00079 0.00697 f\ r\ i. Q t. i. 0 . 04844 3810

H Q T rt 0. 00003 0.00040 0.00404 0 . 0002

0. 00212 0. 01753 0. 00077 0. 00685 0 .047 f

3620

3830 0.00003 0.00039 0. 00395 0.00020 0.00208 0. 01721 0. 00076 0.00672 0.04698 3830

3840 0.00003 0.00038 0. 00386 0.00020 0.00203 0.01689 0. 00074 0. 00660 0.04626 3840

3850 0.00003 0.00037 0. 00377 0.00019 0. 00199 0. 01657 0. 00073 0. 00648 0.04555 3850

3860 0.00003 0.00036 0. 00368 0.00019 0. 00 195 0. 01626 0. 00071 0. 00636 0.04486 3860

3870 0.00003 0.00035 0. 00359 0.00019 0.00191 0. 01596 0. 00070 0. 00625 0.04417 3870

3880 0.00003 0.00034 0. 00351 0.00018 0.00186 0.01566 0. 00068 0. 00614 0.04350 3880

3890 0.00003 0.00033 0. 00343 0.00018 0.00182 0. 01537 0. 00067 0. 00602 0.04283 3890

3900 0.00003 0.00032 0. 00335 0.00017 0.00179 0. 01508 0. 00066 0. 00592 0.04218 3900

3910 0.00003 0.00032 0. 00327 0.00017 0.00175 0.01480 0. 00064 0. 00581 0.04153 3910

3920 0.00003 0.00031 0. 00319 0.00016 0.00171 0.01453 0. 00063 0.00570 0.04089 3920

3930 0.00002 0.00030 0. 00312 0.00016 0.00167 0. 01425 0. 00062 0. 00560 0.04027 3930

3940 0.00002 0.00029 0. 00304 0.00016 0.00164 0.01399 0. 00060 0. 00550 0.03965 3940

3950 0.00002 0.00028 0. 00297 0.00015 0.00160 0. 01373 0. 00059 0. 00540 0.03904 3950

3960 0.00002 0.00028 0. 00290 0.00015 0.00157 0. 01347 0. 00058 0. 00530 0.03844 3960

3970 0.00002 0.00027 0. 00283 0.00015 0.00153 0. 01322 0. 00057 0. 00520 0.03784 3970

3980 0.00002 0.00026 0. 00277 0.00014 0.00150 0. 01297 0. 00056 0. 00511 0.03726 3980

3990 0.00002 0.00026 0. 00270 0.00014 0.00147 0. 01272 0. 00055 0. Q0502 0.03669 3990

4000 0.00002 0.00025 0. 00264 0.00014 0.00144 0.01248 0. 00053 0. 00493 0.03612 4000

140

COP V

-1

cm
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

2/ -(F°-Eo)/T so C° -(F°-E°)/T so Co -(F°-Eo)/T So

cm

T= 800. T= 900. T= 1000.

100 3.58527 5. 39910 1 .98182 3.80003 5. 63259 1 .98294 3.99392 5. 84156 1 .98375 100

c3 • <r lU/co 1 . VtJU f u

2 A A n Q 3 • QUO c0 . A A "2 A A 1 Q Q o n A 1 Q 1 a A A C A *; 0 <^ 0 0 J A 1 . Vo 3U 3 1 lU

120 3.25753 5. 03797 1 .97947 3.46857 5. 27122 1 .98109 3.65945 5. 48001 1 .98224 120

130 3.11567 4. 87958 1 .97814 3.32486 5. 11269 1 .98003 3.51426 5. 32138 1 .98139 130

140 2.98555 4. 73304 1 .97670 3. 19291 4. 96599 1 .97890 3.38083 5. 17458 1 .98046 140

150 2.86555 4. 59671 1 .97516 3.07108 4. 82950 1 .97767 3.25753 5. 03797 1 .97947 150

11 AHOU 4. 46929 11 A*r • 7 n 1 Q

11 Q7 7 J • 1 H 3U*T 4. 91025 1 .97842 1 OU

170 2.65085 4. 34970 1 .97176 2.85278 4. 58213 1 .97498 3.03630 4. 79034 1 .97729 170

180 2.55420 4. 23705 1 .96991 2.75434 4. 46929 1 .97351 2.93642 4. 67736 1 .97610 180

190 2.46364 4. 13059 1 .96795 2.66200 4. 36263 1 .97196 2.84264 4. 57055 1 .97484 190

200 2.37854 4. 02970 1 .96588 2.57513 4. 26152 1 .97033 2.75434 4.46929 1.97351 200

^ 1 u

O OQ Q ^ A 3.93384 1 .96372 A

H- •

1 A A. ^ L Q A n A 1 • 7000 L 0 A 7 n Q Q A • O f U 7 O 4. 37303 1 .97212 A I U

220 2.22264 3. 84254 1 .96145 2.41573 4. 07389 1 .96681 2.59209 4. 28132 1 .97066 220

230 2.15097 3. 75540 1 .95908 2.34233 3. 98650 1 .96493 2.51729 4. 19376 1 .96913 230

240 2.08302 3. 67207 1 .95660 2.27265 3. 90292 1 .96297 2.44621 AH • 1 U7 7 7 1 .96754 240

250 2.01846 3. 59225 1 .95403 2.20638 3. 82283 1 .96093 2.37854 4. 02970 1 .96588 250

L • 7D f U ^ 3. 51567 1 .95135 dm0 1 A. "a 9 <i L H ^ ^ D D • 7A(iQ A 1 .95881 O ^ 1 A n 3. 95263 1.96416 "5 A^^ 270 1.89849 3. 44207 1 .94858 2.08302 3. 67207 1 .95660 2.25242 3. 87854 1 .96237 270

280 1.84262 3. 37126 1 .94570 2.02547 3. 60096 1 .95432 2. 19351 3. 80720 1 .96051 280

290 1.78924 3. 30303 1.94273 1.97042 3. 53242 1 .95196 2.13710 ^ . 7 -a OA A 1 .95859 290

300 1.73817 3. 23722 1 .93966 1.91769 3. 46628 1 .94951 2.08302 3. 67207 1 .95660 300

3. 17367 1 .93648 1 . HO / 1 i . I .94699 ^ . U3 1 1 1 3. 60795 1 .95455 3 1

320 1.64235 3. 11224 1 .93322 1.81860 3. 34063 1 .94439 1.98124 3. 54593 1 .95243 320

330 1.59734 3. 05281 1 .92985 1.77197 3. 28084 1.94172 1.93328 3. 48588 1 .95025 330

340 1.55411 2. 99525 1.92639 1.72712 3. 22291 1 .93896 1.88711 ">D • A07 Ha I 07A Q I .94801 340

350 1.51254 2. 93946 1 .92283 1.68394 3. 16675 1.93613 1.84262 3. 37126 1 .94570 350

"AAA 2. 88534 1 .91918 1 . 64^ 31) 3 . 1 1<C^4 1 .93322 3. 31648 1 .94333 3oU

370 1.43402 2. 83281 1 .91544 1.60225 3. 05932 1 .93023 1.75833 3. 26327 1 .94090 370

380 1.39690 2. 78178 1 .91160 1.56357 3. 00788 1 .92717 1.71835 3. 21154 1 .93840 380

390 1.36111 2. 73217 1 .90766 1.52621 2. 95786 1 .92403 1.67971 3. 16122 1 .93584 390

400 1.32657 2.68392 1 .90364 1.49013 2. 90919 1 .92082 1.64235 3. 11224 1 .93322 400

i • £^7 DC.C. 2. 63697 1 .89952 C. • OA 1 on OO I oU 1.91753 1 A n A 0 A 3. 06454 1 .93053 A 1 n 420 1.26100 2. 59125 1 .89532 1.42149 2. 81563 1 .91417 1.57119 3. 01805 1 .92779 420

430 1.22985 2. 54670 1 .89102 1.38883 2. 77063 1 .91073 1.53728 2. 97272 1 .92498 430

440 1.19973 2. 50327 1 .88664 1.35721 2. 72675 1 .90722 1.50441 2. 92850 1.92211 440

450 1.17059 2. 46093 1.88216 1.32657 2. 68392 1 .90364 1.47254 2. 88534 1 .91918 450

A.An 1 1 A O 1 7 2. 41961 1 .87760 1 . c*7oa 1 ^ . A A 1 O 1 .89999 1 A A 1 A 1 2. 84319 1 .91619 AHOUAH

470 1.11504 2. 37928 1 .87296 1.26806 2. 60130 1 .89626 1.41158 2. 80201 1 .91314 470

480 1.08856 2. 33989 1 .86822 1.24012 2. 56142 1 .89246 1.38243 2. 76177 1 .91003 480

490 1.06289 2. 30142 1 .86341 1.21300 2. 52244 1 .88860 1.35410 2. 72242 1 .90687 490

500 1.03800 2. 26383 1 .85850 1.18666 2. 48432 1 .88466 1.32657 2. 68392 1.90364 500

510 1.01385 2. 22707 1 .85352 1.16108 2. 44704 1 .88065 1.29980 2. 64626 1 .90035 510

520 0.99041 2. 19113 1 .84845 1.13622 2. 41056 1 .87658 1.27375 2. 60939 1 .89701 520

530 0.96766 2. 15597 1 .84330 1.11206 2. 37486 1 .87244 1.24842 2. 57329 1 .89361 530

540 0.94556 2. 12156 1 .83808 1.08856 2. 33989 1 .86822 1.22375 2. 53792 1 .89015 540

550 0.92409 2.08788 1 .83277 1.06570 2. 30565 1 .86395 1. 19973 2. 50327 1 .88664 550

560 0.90323 2. 05491 1 .82738 1.04346 2. 27211 1 .85960 1. 17634 2. 4693 I 1 .88307 560

570 0.88295 2. 02261 1 .82192 1.02182 2. 23923 1 .85519 1.15355 2. 43601 1 .87944 570

580 0.86324 1. 99097 1 .81638 1.00074 2.20701 1 .85072 1.13134 2. 40336 1 .87576 580

590 0.84406 1.95997 1 .81076 0.98021 2. 17541 1 .84617 1. 10968 2. 37133 1 .87202 590

c°

p

cm-1

141
cm

-1

Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

-(f°-e°)/t s° c°

p

-(f°-e°)/t s°

p

-(f°-e°)/t s° c°

p cm

T = 800. T = 900. T =1000.

600 0.82540 1 .92958 1 .80507 0.96022 2 . 14442 1 .84157 1.08856 2 . 33989 I .86822 600

610 0.80725 1 .89980 I . 79930 0.94074 2 .11401 1 . 83690 1.06796 2 . 30905 1 . 86438 610

620 0.78958 1 .87059 1 . 79346 0.92175 2.08418 1 .83217 1 . 04786 2 .2 7876 1 . 86048 620

630 0.77237 1 .84194 1 . 78756 0.90323 2 .05491 1 . 82738 1.02825 2 .24902 1 .85652 630

640 0,75562 1 .81383 1 .78157 0.88518 2 .02617 I .82253 1 .00910 2 .21982 1 .85251 640

650 0.73930 1 .78626 1 .77552 0. 86757 1 .99795 1 .81761 0. 99041 2 .19113 1 .84845 650

660 0.72340 1 .75920 1 .76941 0.85039 1 .97024 1 .81264 0.97215 2 .16294 1 .84434 660

670 0.70790 1 .73263 1 . 76322 0.83363 1 .94301 1 . 80761 0.95432 2 .13524 1 .84018 670

680 0.69280 1 .70656 1 .75697 0.81727 1 .91627 1 .80251 0.93690 2 .10800 1 .83596 680

690 0.67808 1 .68095 1 .75065 0.80130 1 .89000 1 .79736 0. 91987 2 .08123 1 .83170 690

700 0.66373 1 .65581 1 . 74427 0.78571 1 .86417 1 . 79216 0.90323 2 .05491 1 .82738 700

710 0.64973 1 .63111 1 .73782 0.77049 I .83879 1 .78689 0.88696 2 .02902 1 .82302 710

720 0.63608 1 .60685 1 .73131 0.75562 1 .81383 1 .78157 0.87106 2 .00355 1 .81860 720

730 0.62277 1 .58302 1 .72474 0.74109 1 .78930 1 .77620 0.85550 1.97850 1 .81414 730

740 0.60977 1 .55960 1 .71811 0.72689 1 .76517 1 . 77077 0.84029 1 .95384 1 .80963 740

750 0. 59709 1 .53658 1 . 71 142 0.71302 1 .74143 1 .76529 0.82540 1 .92958 1 .80507 750

760 0.58471 1 .51396 1 . 70467 0.69947 1 .71809 1 .75975 0.81084 1 .90571 1 .80046 760

770 0.57263 1 .49172 1 .69787 0.68622 1 .69512 1 .75417 0.79659 1 .88220 1 .79581 770

780 0.56084 1 .46985 1 .69101 0.67326 1 .67252 1 .74853 0.78264 1 .85906 1 .791 11 780

790 0.54932 1 .44835 1 .68409 0.66059 1 .65028 1 .74284 0.76898 1 .83627 1 .78636 790

800 0. 53808 1 .42721 1 .67713 0.64820 1 .62840 1 .73710 0.75562 1 .81383 1 .78157 800

810 0. 52709 1 .40642 1 .67010 0.63608 1 .60685 1 .73131 0.74253 1 .79173 1 .77674 810

820 0.51636 1 .38597 1 .66303 0.62423 1 .58565 1 .72547 0.72971 I .76996 1 .77186 820

830 0.50588 1 .36586 I .65591 0.61263 1 .56477 1 .71959 0.71715 1 .74851 1 .76694 830

840 0.49564 1 .34607 1 .64874 0.60128 1 .54421 1 .71366 0.70485 1 .72738 I .76197 840

850 0.48563 1 .32660 1 .64151 0.59018 1 .52396 1 .70768 0.69280 1 .70656 1 .75697 850

860 0.47585 1 .30744 1 .63425 0.57931 1.50402 1 .70166 0.68100 1 .68604 1 .75192 860

870 0.46629 1 .28859 1 .62693 0.56867 1 .48439 1 .69559 0.66943 1 .66581 1 .74683 870

880 0.45694 1.27004 1 .61957 0. 55826 1 .46504 1 .68948 0.65809 1 .64588 1 .74169 880

890 0.44781 1 .25178 1 .61217 0.54806 1 .44599 1 .68332 0.64698 1 .62623 1 .73652 890

900 0.43887 1 .23381 1 .60473 0.53808 1.42721 1 .67713 0.63608 1 .60685 1 .73131 900

910 0.43014 1 .21612 1 .59724 0.52830 1 .40872 1 .67089 0.62540 1 .58775 1 .72606 910

920 0.42160 1 .19870 1 . 58971 0. 51873 1 . 39049 1 .66461 0.61493 1 .56892 1 .72077 920

930 0.41324 1 .18156 1 . 58215 0.50935 1 .37253 1 .65829 0.60466 1 .55034 1 .71544 930

940 0.40507 1 . 16468 1 . 57454 0.50016 I .35483 1 .65193 0. 59459 1 .53202 1 .71008 940

950 0.39708 1 .14806 1 .56690 0.49116 1 .33738 1 .64553 0.58471 1 .51396 1 .70467 950

960 0.38926 1 .13169 1 .55922 0.48234 1 . 32018 1 .63910 0.57503 1.49613 1 .69923 960

970 0.38161 1 .11557 I .55151 0.47370 1 .30323 1 .63263 0.56552 1.47855 1 .69376 970

980 0. 37413 1 .09970 1 .54377 0.46524 1 .28652 1 .62612 0.55620 1.46121 1 .68825 980

990 0. 36680 1 .08406 1 .53599 0.45694 1 .27004 1 .61957 0.54705 1 .44410 1 .68270 990

1000 0.35964 1 .06867 1 .52818 0.44881 1 .25380 1 .61300 0.53808 1 .42721 1 .67713 1000

1010 0.35262 1 .05350 1 .52034 0.44084 1 .23778 1.60639 0.52927 1 .41055 1 .67151 1010

1020 0.34576 1 .03856 1 .51247 0.43303 1 .22199 1 .59974 0.52062 1 .39411 1 .66587 1020

1030 0.33904 1 .02384 1 .50457 0.42537 1 .20641 1 .59306 0.51214 1.37789 1 .66019 1030

1040 0.33246 1 .00934 1.49664 0.41786 1 .19105 I .58636 0.50381 1 .36188 1 .65448 1040

1050 0.32602 0 .99506 1 .48869 0.41050 1 . 17590 1 .57962 0.49564 1 .34607 1 .64874 1050

1060 0.31971 0 .98099 1 .48071 0.40328 1 . 16096 1 .57285 0.48761 1 .33047 1 .64296 1060

1070 0.31354 0 .96712 1 .47271 0.39620 1 . 14623 1 .56605 0.47973 1 .31507 1 .63716 1070

1080 0.30750 0 .95346 1 .46468 0.38926 1 .13169 1 .55922 0.47200 I .29987 1 .63133 1080

1090 0.30158 0 .93999 1 .45664 0.38245 1 .11735 1 .55237 0.46440 I .28486 1 .62547 1090

142
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

-1 cm

_(Fo„eo)/T s° C°

p

-(f°-e°)/t S° C°

P

-(F°-e°)/t S° C°P V

cm

T= 800. T= 900. T= 1000.

1100 0. 29578 0. 92673 1. 44857 0.37578 1. 10320 1. 54549 0. 45694 1. 27004 1. 61957 1100

llIO 0. 29010 0. 91366 1. 44048 0.36923 I. 08925 1. 53858 0. 44962 1. 25541 1. 61366 1110

1120 0. 28454 0. 90077 1. 43238 0.36280 1. 07548 1. 53165 0. 44242 1. 24097 1. 60771 1120

1130 0. 27910 0. 88808 1. 42425 0.35650 1. 06190 1. 52470 0. 43536 1. 22670 1. 60174 1130

1140 0.27376 0. 87556 1. 41611 0.35032 I. 04849 1. 51772 0. 42842 1

21262 I. 59574 1140

1150 0. 26854 0. 86323 1.40796 0.34425 1. 03527 1. 51071 0. 42160 1. 19870 1. 58971 1150

1160 0. 26342 0. 85108 1. 39979 0.33830 1. 02222 1. 50369 0. 41490 1. 18497 1. 58366 1160

1170 0. 25841 0. 83910 1. 39160 0.33246 1. 00934 1. 49664 0. 40832 1. 17140 I. 57759 1170

1180 0. 25349 0. 82729 1. 38340 0.32673 0.99664 1. 48957 0. 40186 1. 15800 1. 57149 1180

1190 0. 24868 0. 81565 1. 37520 0.32110 0. 98410 1. 48249 0. 39550 1. 14476 1. 56537 1190

1200 0. 24396 0.80417 1 .36698 0.31558 0.97172 1 .47538 0. 38926 1.13169 1 .55922 1200

1210 0. 23934 0.79286 1 .35875 0.31017 0.95950 I .46825 0. 38313 1.11878 1 .55306 1210

1220 0. 23482 0.78172 1 .35051 0.30485 0.94745 1 .46111 0. 37710 1.10602 1 .54687 1220

1230 0. 23038 0.77072 1 .34226 0.29963 0.93555 1.45395 0. 37118 1.09342 1 .54066 1230

1240 0. 22603 0.75989 1 .33401 0.29451 0.92381 1 .44678 0. 36536 1.08097 1 .53443 1240

1250 0. 22177 0.74921 1 .32575 0.28948 0.91222 1 .43958 0. 35964 1.06867 1 .52818 1250

1260 0. 21759 0.73868 I .31748 0.28454 0.90077 1 .43238 0. 35401 1.05651 1 .52191 1260

1270 0. 21349 0.72829 1 .30922 0.27970 0.88948 1 .42516 0. 34848 1.04451 1 .51562 1270

1280 0. 20948 0.71806 1 .30094 0.27494 0.87833 1 .41792 0. 34305 1.03265 1 .50931 1280

1290 0. 20555 0.70797 I .29267 0.27027 0.86732 I .41068 0. 33771 1.02092 1 .50298 1290

1300 0. 20169 0.69802 1 .28440 0.26568 0.85646 1.40342 0. 33246 1.00934 1 .49664 1300

1310 0. 19791 0.68821 1 .27612 0.26118 0.84573 1 .39615 0. 32729 0.99790 1.49028 1310

1320 0.19420 0.67853 1 .26785 0.25676 0.83514 1 .38887 0. 32222 0.98659 1 .48390 1320

1330 0.19057 0.66899 1 .25957 0.25242 0. 82469 1 .38158 0. 31723 0. 9754

1.47751 1330

1340 0. 18701 0.65959 1 .25130 0.24815 0.81437 1 .37428 0. 31232 0.96437 1.47111 1340

1350 0.18352 0.65032 1 . 24303 0. 24396 0. 80417 1 .36698 0. 30750 0.95346 1 .46468 1350

1360 0. 18009 0.641 17 1 . 23477 0.23985 0.79411 1 .35966 0. 30275 0. 94267 1 .45825 1360

1370 0. 17674 0.63216 .22651 0.23581 0. 78418 1 .35234 0. 29808 1.45180

1380 0. 17345 0.62327 1 .21825 0.23185 0. 77437 1 .34501 0. 29350 0. 92148 1 .44534 1380

1390 0. 17022 0.61450 .21001 0.22795 0. 76469 1 .33768 0. 28898 0.91 106 1 .43886 1390

1400 0. 16705 0.60586 1 .20177 0.22412 0.75512 1 .33034 0. 28454 0.90077 1 .43238 1400

1410 0. 16395 0.59733 1 .19353 0.22036 0.74568 1 . 32299 0. 28018 0.89060 1 .42588 1410

1420 0. 16090 0.58893 1 . 18531 0.21667 0.73636 1 .31565 0. 27589 0.88055 1 .41937 1420

1430 0. 15792 0.58064 1 .17710 0.21304 0.72715 1 .30830 0. 27166 0.87061 1 .41285 1430

1440 0.15499 0.57246 1 .16889 0.20948 0.71306 1 .30094 0. 26751 0.86079 1 .40632 1440

1450 0. 15212 0.56440 1 .16070 0.20598 0.70908 1 .29359 0. 26342 0.85108 1 .39979 1450

1460 0. 14930 0.55645 1 .15252 0.20254 0. 70021 1.28624 0. 25940 0.84148 1 .39324 1460

1470 0. 14654 0.54861 1 .14435 0.19916 0.69146 1 .27888 0.25545 0.83199 1 .38668 1470

1480 0. 14383 0.54088 1 . 13619 0.19584 0.68281 1 .27152 0. 25156 0.82261 1 .38012 1480

1490 0.14118 0.53326 1 . 12805 0.19258 0.67428 1 .26417 0. 24773 0.81334 1 .37355 1490

1500 0. 13857 0.52574 1 .11993 0.18938 0.66585 1 .25682 0. 24396 0.80417 1 .36698 1500

1510 0. 13601 0.51833 1 .11182 0.18623 0.65752 1 .24946 0. 24026 0.79511 1 .36039 1510

1520 0. 13351 0.51102 1 .10372 0.18313 0.64930 1 .24211 0. 23662 0.78616 1 .35380 1520

1530 0. 13105 0.50380 1 .09564 0.18009 0.64117 1 .23477 0. 23303 0.77730 1 .34721 1530

1540 0. 12863 0.49669 1 .08758 0.17711 0.63315 1 .22743 0. 22950 0.76854 1 .34061 1540

1550 0. 12627 0.48968 1 .07954 0.17417 0.62523 1 .22009 0. 22603 0.75989 1 .33401 1550

1560 0. 12394 0.48276 1 .07151 0.17129 0.61741 1 .21276 0. 22261 0.75133 1 .32740 1560

1570 0. 12167 0.47594 1 .06351 0.16845 0.60968 1 .20543 0. 21925 0.74287 1 .32079 1570

1580 0. 11943 0.46921 1 .05553 0.16566 0.60205 1 .19811 0. 21594 0.73451 1 .31418 1580

1590 0. 11724 0.46258 1 .04756 0.16293 0.59452 1 .19079 0. 21269 0.72623 1 .30756 1590

143

I
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

V -(f°-e°)/t s° c° -(fo-e°)/t s° eg -(f°-e°)/t s° cm

T= 800. T= 900. T=1000.

1600 0.11509 0. 45604 1. 03962 0. 16024 0.58708 1. 18348 0. 20948 0.71806 1 .30094 1600

1610 0. 11298 0. 44958 1. 03170 0. 15759 0.57972 1. 17618 0. 20633 0.70997 1 .29433 1610

1620 0.11090 0. 44322 1. 02380 0. 15499 0.57246 1. 16889 0. 20322 0.70198 1 .28771 1620

1630 0. 10887 0. 43694 I. 01592 0. 15244 0.56529 1. 16161 0. 20017 0.69407 1 .28109 1630

0. 43076 1. 00807 0. 14993 0.55821 1. 15433 0. 19716 0.68626 1 . 27447 1640

1650 0.10492 0. 42465 1. 00024 0. 14746 0.55122 1. 14707 0. 19420 0.67853 1 .26785 1650

1660 0.10300 0.41863 0. 99244 0. 14503 0.54431 1. 13982 0. 19129 0.67089 1 .26123 1660

1670 0.10112 0.41269 0. 98466 0.14265 0.53748 1. 13257 0. 18843 0.66334 1 .25461 1670

1680 0.09927 0. 40684 0. 97691 0. 14030 0.53074 1. 12534 0. 18560 0.65587 1 .24799 1680

1 t n 1690 0 .09746 0.40106 0.96918 0. 13800 0. 52409 1. 11812 0. 18283 0. 64848 1 .24138 1690

1700 0.09568 0.39537 0. 96148 0. 13573 0.51751 1. 11092 0.18009 0.64117 1 .23477 1700

1710 0.09393 0. 38975 0. 95381 0. 13351 0.51102 1. 10372 0. 17740 0.63395 1 .22816 1710

1720 0.09222 0. 38421 0.94616 0. 13132 0. 50460 1. 09654 0. 17475 0.62681 1 .22156 1720

1730 0.09054 0. 37875 0. 93855 0. 12917 0.49826 1. 08937 0.17215 0.61975 1 .21495 1730

1. / tu r\ n o o o o 0. 37336 0. 93096 0.12705 0. 49201 1. 08222 0. 16958 0.61276 1 .20836 1740

1750 0.08727 0. 36805 0. 92340 0. 12497 0.48583 1.07508 0. 16705 0.60586 1 .20177 1750

1760 0.08568 0. 36281 0. 91587 0. 12293 0.47972 1. 06795 0. 16456 0.59903 1 .19518 1760

1770 0.08412 0. 35764 0. 90837 0. 12092 0.47369 1. 06085 0. 16211 0.59228 1 .18860 1770

1780 0.08259 0. 35254 0.90090 0.11894 0.46773 1. 05375 0. 15970 0.58560 1 .18202 1780

1 "f Q A U. (JoiUH 0. 34752 0. 89346 0. 11700 U .HO 1 H3 1. 04668 0. 15733 1 1 l90

1800 0.07961 0. 34256 0. 88605 0. 11509 0.45604 1. 03962 0. 15499 0.57246 1 .16889 1800

1810 0.07816 0.33767 0.87867 0. 11321 0.45030 1. 03258 0. 15269 0.56601 1 .16234 1810

1820 0.07674 0. 33285 0. 87132 0. 11136 0.44463 1. 02555 0. 15042 0.55962 1 .15579 1820

1830 0.07535 0. 32810 0. 86401 0. 10955 0.43903 1. 01855 0. 14819 0.55331 1 .14925 1830

0.07398 0. 32341 0. 85673 0. 10776 0.43350 1. 01156 0. 14600 0. 34706 1 .14272 1 O A A 1 840

1850 0.07264 0. 31878 0. 84948 0. 10601 0.42803 1. 00459 0. 14383 0.54088 1 . 13619 1850

1360 0.07132 0. 31422 0. 84226 0. 10428 0.42263 0. 99764 0. 14170 0.53478 1 .12968 1860

1870 0.07002 0. 30973 0. 83508 0. 10258 0.41730 0. 99071 0. 13961 0.52874 1 . 12318 1870

1880 0.06875 0. 30529 0. 82793 0. 10091 0.41204 0. 98380 0. 13754 0.52276 1 .11668 1880

1890 0.06751 0. 30092 0. 82082 0. 09927 0.40684 0. 97691 0. 13551 0. 51686 1 .11020 1890

1900 0.06628 0. 29661 0. 81374 0. 09766 0.40170 0.97004 0. 13351 0.51102 1 .10372 1900

1910 0.06508 0. 29235 0. 80670 0. 09607 0.39663 0. 96319 0. 13153 0.50524 1 .09726 1910

1920 0.06390 0.28816 0. 79969 0. 09451 0.39161 0. 95636 0. 12959 0.49953 1 .09080 1920

1930 0.06275 0. 28402 0. 79271 0. 09298 0.38666 0. 94956 0. 12768 0.49388 1 .08436 1930

1940 0.06161 0. 27994 0. 78577 0. 09147 0. 38177 0.94277 0. 12580 0.48829 1.07793 1940

1950 0.06050 0. 27592 0. 77887 0. 08998 0.37694 0. 93601 0. 12394 0.48276 1.07151 1950

1960 0.05940 0. 27196 0. 77200 0. 08852 0.37217 0. 92927 0. 12212 0.47730 1 .06511 1960

1970 0.05833 0. 26804 0. 76517 0. 08709 0.36746 0. 92256 0. 12032 0.47189 1 .05872 1970

1980 0.05727 0. 26419 0. 75838 0. 08568 0.36281 0. 91587 0. 11855 0.46655 1 .05234 1980

1990 0.05624 0. 26038 0. 75162 0. 08429 0.35821 0. 90920 0. 11680 0.46126 1 .04597 1990

2000 0.05522 0. 25663 0. 74490 0. 08292 0.35367 0. 90255 0. 11509 0.45604 1.03962 2000

2010 0.05422 0. 25293 0. 73821 0. 08158 0.34918 0. 89593 0. 11339 0.45087 1.03328 2010

2020 0.05324 0. 24929 0. 73156 0. 08026 0.34475 0. 88934 0. 11173 0.44576 1 .02696 2020

2030 0.05228 0, 24569 0. 72495 0. 07896 0.34038 0. 88276 0. 11009 0.44070 1 .02065 2030

2040 0.05134 0. 24214 0. 71838 0. 07769 0.33606 0. 87622 0. 10847 0.43570 1 .01435 2040

2050 0.05041 0. 23865 0. 71185 0. 07643 0.33179 0.86970 0. 10688 0.43076 1 .00807 2050

2060 0.04950 0. 23520 0. 70535 0. 07519 0.32757 0.86320 0. 10531 0.4^586 1 .00181 2060

2070 0.04861 0. 23180 0. 69889 0. 07398 0.32341 0. 85673 0. 10377 0.42103 0 .99556 2070

2080 0.04773 0. 22845 0. 69247 0. 07278 0.31929 0. 85028 0. 10225 0.41625 0 .98933 2080

2090 0.04687 0. 22514 0. 68609 0. 07161 0.31523 0. 84387 0. 10075 0.41152 0 .98311 2090

c°

p cm

1/-1

144
-1 cm

2100

2110

2120

2130

2140

2150

2160

2170

2160

2190

Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

(F°-Eo)/T S°

T= 800.

0.04602

0.04519

0.04438

0.04358

0.04280

0.04202 0.

0.04127 0.

0.04052 0.

0.03979 0.

0.03908 0.

22188

21867

21550

21237

20929

20625

20326

20030

19739

19452

c°

p

-(FO-Eo)/T S° 0°

P

-(F°-e°)/t so CO

P

V

-1 cm

T= 900. T= 1000.

0. 67975 0.07045 0.31122 0. 83747 0. 09927 0. 40684 0.97691 2100

0. 67344 0.06932 0.30726 0. 83111 0. 09782 0. 40221 0.97073 2110

0. 66717 0.06820 0.30334 0. 82477 0. 09639 0. 39764 0.96456 2120

0. 66095 0.06710 0.29947 0.81846 0. 09498 0. 39311 0.95841 2130

0. 65476 0.06602 0.29566 0. 81217 0. 09359 0. 38864 0.95228 2140

0. 64861 0.06495 0.29188 0. 80592 0. 09222 0. 38421 0.94616 2150

0.64250 0.06390 0.28316 0. 79969 0. 09087 0. 37984 0.94007 2160

0. 63643 0.06287 0.28448 0. 79349 0. 08954 0. 37551 0.93399 2170

0. 63039 0.06186 0.28085 0. 78731 0. 08823 0. 37123 0.92793 2180

0. 62440 0.06087 0.27726 0. 78117 0. 08695 0. 36699 0.92189 2190

2200

2210

2220

2230

2240

0.03838 0.

0.03768 0,

0.03701 0.

0.03634 0.

0.03569 0,

19169

18890

18615

18343

18076

0.61845

0.61253

0.60666

0.60082

0.59502

0.05989

0.05892

0.05797

0.05704

0.05612

0.27371 0.

0.27021 0.

0.26675 0.

0.26334 0,

0.25996 0.

77505

76896

76290

75687

75087

0.08568

0.08443

0.08320

0.08198

0.08079

0.36281 0,

0.35867 0.

0.35457 0.

0.35052 0.

0.34652 0.

91587

90986

90388

89792

89197

2200

2210

2220

2230

2240

2250 0. 03505 0. 17812 0. 58927 0.05522 0. 25663 0. 74490 0. 07961 0. 34256 0. 88605 2250

2260 0. 03442 0. 17552 0. 58355 0.05433 0. 25334 0. 73895 0. 07845 0. 33864 0. 88014 2260

2270 0. 03380 0. 17295 0. 57787 0.05346 0. 25009 0. 73304 0. 07731 0. 33477 0. 87426 2270

2280 0.03319 0. 17043 0. 57223 0.05260 0. 24688 0. 72715 0. 07618 0. 33094 0. 86839 2280

2290 0. 03259 0. 16794 0. 56663 0.05175 0. 24371 0. 72130 0. 07507 0. 32715 0. 86255 2290

2300 0. 03201 0. 16548 0. 56108 0.05092 0. 24058 0. 71547 0. 07398 0. 32341 0. 85673 2300

2310 0. 03143 0. 16306 0. 55556 0- 05011 0. 23749 0. 70968 0. 07290 0. 31970 0. 85093 2310

2320 0. 03087 0. 16067 0. 55007 0.04930 0. 23444 0. 70391 0

07184 0. 31604 0. 84515 2320

2330 0. 03031 0. 15831 0. 54463 0.04851 0. 23142 0. 69818 0. 07080 0. 31242 0. 83939 2330

2340 0. 02977 0. 15599 0. 53923 0.04773 0. 22845 0. 69247 0. 06977 0. 30884 0. 83365 2 340

2350 0.02923 0. 15371 0. 53387 0.04696 0.22551 0. 68680 0. 06875 0. 30529 0. 82793 2350

2360 0. 02871 0. 15145 0.52855 0.04621 0. 22260 0. 68115 0. 06775 0.30179 0. 82224 2360

2370 0. 02819 0. 14923 0. 52326 0.04547 0.21973 0. 67554 0. 06677 0. 29832 0. 81657 2370

2380 0. 02769 0. 14703 0. 51802 0.04474 0. 21690 0. 66995 0. 06580 0. 29490 0. 81092 2380

2390 0. 02719 0. 14487 0. 51281 0.04402 0. 21410 0. 66440 0. 06485 0. 29151 0. 80529 2390

2400 0. 02670 0. 14274 0. 50765 0.04332 0. 21134 0. 65888 0. 06390 0. 28816 0. 79969 2400

2410 0. 02622 0. 14064 0.50252 0.04262 0. 20861 0. 65339 0. 06298 0. 28485 0. 79410 2410

2420 0. 02575 0. 13857 0,49743 0.04194 0. 20592 0. 64793 0. 06206 0. 28157 0. 78854 2420

2430 0. 02529 0. 13653 0. 49238 0.04127 0. 20326 0. 64250 0. 06116 0. 27833 0. 78301 2430

2440 0. 02484 0. 13452 0. 48737 0.04061 0.20063 0. 63710 0. 06028 0. 27512 0. 77749 2440

2450 0. 02439 0. 13254 0. 48240 0.03996 0. 19804 0.63173 0. 05940 0. 27196 0. 77200 2450

2460 0. 02396 0. 13058 0. 47747 0.03932 0. 19547 0. 62639 0. 05854 0. 26882 0. 76653 2460

2470 0. 02353 0. 12865 0. 47257 0.03869 0. 19294 0. 62109 0. 05769 0. 26572 0. 76109 2470

2480 0. 02310 0.12675 0. 46772 0.03807 0. 19044 0. 61581 0. 05686 0. 26266 0. 75567 2480

2490 0. 02269 0. 12488 0. 46290 0.03746 0. 18798 0. 61057 0. 05603 0. 25963 0. 75027 2490

2500 0. 02228 0. 12304 0. 45812 0.03686 0. 18554 0. 60536 0. 05522 0. 25663 0. 74490 2500

2510 0.02188 0.12122 0. 45338 0.03627 0. 18313 0. 60017 0. 05442 0. 25367 0.73954 2510

2520 0. 02149 0. 11942 0. 44868 0.03569 0. 18076 0. 59502 0. 05363 0. 25074 0. 73422 2520

2530 0. 02111 0. 11766 0. 44401 0.03512 0. 17841 0. 58991 0. 05286 0. 24784 0. 72892 2530

2540 0. 02073 0. 11591 0. 43938 0.03455 0. 17609 0. 58482 0. 05209 0. 24498 0. 72364 2540

2550 0. 02036 0. 11420 0. 43479 0.03400 0. 17381 0. 57976 0. 05134 0. 24214 0. 71838 2550

2560 0. 01999 0. 11250 0. 43024 0.03346 0. 17155 0. 57473 0. 05059 0.23934 0. 71315 2 560

2570 0. 01963 0. 11083 0. 42573 0.03292 0. 16932 0. 56974 0. 04986 0. 23657 0. 70794 2570

2580 0. 01928 0. 10919 0. 42125 0.03240 0. 16711 0. 56478 0.04914 0. 23383 0. 70276 2580

2590 0. 01894 0. 10757 0. 41681 0.03188 0. 16494 0. 55985 0. 04843 0. 23112 0. 69760 2590

145
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

V -(F°-Eo)/T S° C° -(F°-E°)/T so C° -(f°-eo)/t S° cm

T = 800. T= 900. T =1000.

c. yJ \J \J n 0 .10597 0. 41241 \j * yj J L J t 0. 16279 0. 55494 0. 04773 nu n • O 7 ^ H 1 ^7 Ao nu nu 2610 0 .01826 0 . 10440 0. 40804 0.03087 0. 16067 0. 55007 0. 04704 0 .22580 0 .68736 2610

2620 0 .01794 0 . 10284 0. 40371 0.03037 0. 15857 0. 54524 0. 04636 0 .22318 0 .68228 2620

2630 0 .01762 0 .10131 0. 39942 0.02989 0. 15651 0. 54043 0. 04569 0 .22059 0 .67722 2630

2640 0 .01730 0 .09981 0. 39517 0.02941 0. 15446 0. 53565 0.04503 0 .21803 0 .67218 2640

n 0 .09832 0. 39095 V> . U ^ O 7 *T 0. 15245 0. 53091 0. 04438 n\J .

^1DOA 7III1 7 c O 7 U 2660 0 .01669 0 .09686 0. 38676 0.02848 0. 15046 0. 52619 0. 04374 0 .21299 0 .66219 2660

2670 0 .01639 0 .09541 0. 38261 0.02802 0. 14849 0.52151 0. 04311 0 .21052 0 .65723 2670

2680 0 .01610 0 .09399 0. 37850 0.02758 0. 14655 0. 51686 0. 04249 0 .20807 0 .65229 2680

2690 0 .01581 0.09259 0. 37443 0.02714 0. 14463 0. 51224 0. 04187 0 .20565 0 .64738 2690

2700 0 .01552 0 .09121 0. 37039 0.02670 0. 14274 0. 50765 0. 04127 0 . 2032 6 0 .64250 2700

2710 0 .01525 0 .08984 0. 36638 0.02628 0. 14087 0.50309 0. 04067 0 .20089 0 .63764 2710

2720 0 .01497 0 .08850 0. 36241 0.02586 0. 13903 0. 49856 0. 04008 0 . 19855 0 .63280 2720

2730 0 .01471 0 .08718 0. 35848 0.02544 0. 13721 0. 49406 0. 03951 0 . 19624 0 .62799 2730

27A0 0 .01444 0 .08588 0. 35458 0.02504 0. 13541 0. 48959 0. 03894 0 . 19395 0 .62321 2740

n 01418 0 . 08459 0. 35072 n f)?4h4 0. 13363 0. 48516 0.03838 0 . X 7 L U 7 0 .61845 ?7S0

2760 0 .01393 0 .08332 0. 34689 0.02425 0. 13188 0. 48075 0.03782 0 .18945 0 .61371 2 760

2770 0 .01368 0 .08208 0. 34309 0.02386 0. 13015 0. 47638 0.03728 0 . 18724 0 .60900 2770

2780 0 .01344 0 .08085 0. 33933 0.02348 0. 12844 0. 47203 0. 03674 0 .18506 0 .60432 2780

2790 0 .01320 0 .07964 0. 33560 0.02310 0. 12675 0.46772 0. 03621 0 .18289 0 .59966 2790

. U 1 ^ 7 O 0 .07844 0. 33191 0. 12509 0. 46343 0.03569 • 1L AOOKI 71 AO 0.59502 t? flon OWVJ 2810 0 .01273 0 .07727 0. 32825 0.02237 0. 12344 0. 45918 0. 03517 0 . 17864 0 .59042 2810

2820 0 .01250 0 .07611 0. 32462 0.02202 0. 12182 0. 45495 0. 03467 0 .17655 0 .58533 2820

2830 0 .01228 0 .07496 0. 32103 0.02166 0. 12022 0. 45076 0.03417 0 .17449 0 .58127 2830

2840 0 .01206 0 .07384 0. 31747 0.02132 0. 11863 0. 44660 0. 03367 0 .17245 0 .57674 2840

2850 Q 0 .07273 0. 31394 nyj •m 07098 \J C- \J y \J 0. 11707 0.44246 0. 03319 0 . 17043 0 .57223 2850

2860 0 .01163 0 .07163 0.31045 0.02064 0. 11553 0. 43836 0.03271 0 .16843 0 .56775 2860

2870 0 .01142 0 .07056 0. 30698 0.02032 0. 11401 0. 43429 0. 03224 0 . 16646 0 .56329 2870

2880 0 .01122 0 .06949 0. 30356 0.01999 0. 11250 0.43024 0. 03178 0 . 16451 0.55886 2880

2890 0 .01102 0 .06845 0. 30016 0.01967 0. 11 102 0. 42623 0. 03132 0 .16258 0.55446 2890

0 .01082 0 .06742 0.29679 O 01 Q3^i 0. 10955 0.42224 0. 03087 0 .16067 0 .55007 2900

2910 0 .01063 0 .06640 0. 29346 0.01905 0. 10811 0. 41829 0. 03042 0 .15878 0 .54572 2910

2920 0 .01044 0 .06540 0. 29016 0.01875 0. 10668 0. 41436 0. 02999 0 .15692 0 .54139 2920

2930 0 .01025 0 .06441 0. 28689 0.01845 0. 10527 0. 41046 0. 02955 0 . 15507 0 .53708 2930

2940 0 .01007 0 .06344 0.28365 0.01816 0. 10388 0. 40660 0. 02913 0 .15325 0 .53280 2940

o Q *\ n 0 .00989 0 .06248 0.28044 n n 1 7 Q 7 u . U 1 10 1 0. 10250 0. 40276 0. 02871 0 .15145 0 .52855 ^ 7 3U

2960 0 .00971 0.06154 0. 27726 0.01758 0. 10115 0. 39895 0. 02830 0 . 14967 0 .52432 2960

2970 0 .00954 0 .06061 0. 27412 0.01730 0. 09981 0. 39517 0. 02789 0 .14791 0 .52011 2970

2980 0 .00937 0 .05969 0.27100 0.01703 0. 09848 0. 39141 0. 02749 0 . 14617 0 .51593 2980

2990 0.00920 0.05879 0. 26791 0.01675 0. 09718 0.38769 0. 02709 0. 14444 0 .51178 2990

3000 0.00904 0 .05790 0. 26486 0.01649 0. 09589 0. 38399 0. 02670 0 . 14274 0 .50765 3000

3010 0 .00887 0 .05703 0. 26183 0.01623 0. 09462 0. 38033 0. 02632 0 .14106 0 .50354 3010

3020 0 .00872 0 .05616 0. 25883 0.01597 0. 09336 0. 37669 0.02594 0 .13940 0 .49946 3020

3030 0.00856 0.05531 0. 25587 0.01571 0.09213 0. 37308 0. 02557 0 .13775 0 .49541 3030

3040 0 .00841 0 .05447 0.25293 0.01546 0. 09090 0.36950 0. 02520 0 .13613 0 .49138 3040

3050 0 .00826 0 .05365 0. 25002 0.01522 0. 08969 0. 36594 0. 02484 0. 13452 0 .48737 3050

3060 0 .00811 0 .05283 0. 24714 0.01497 0. 08850 0. 36241 0. 02448 0 .13293 0 .48339 3060

3070 0.00797 0 .05203 0. 24429 0.01474 0. 08733 0. 35892 0. 02413 0 .13136 0 .47944 3070

3080 0 .00782 0 .05124 0. 24147 0.01450 0. 08616 0. 35544 0. 02378 0 . 12981 0 .47550 3080

3090 0 .00768 0 .05046 0. 23867 0.01427 0. 08502 0. 35200 0. 02344 0 .12827 0.47160 3090

c°

p cm

146
V

cm

Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

-(f°-e°)/t c°

p

-(f°-e°)/t s° eg -(F°-Eo)/T s° c°

p

V

cm

T= 800. 900. T=1000.

3100 0.00755 0.04970 0.23590 0.01404 0.08389 0. 34858 0. 02310 0. 12675 0. 46772 3100

3110 0.00741 0.04894 0.23316 0.01382 0.08277 0. 34519 0. 02277 0. 12525 0. 46386 3110

3120 0.00728 0.04820 0.23045 0.01360 0.08167 0. 34183 0. 02244 0. 12377 0. 46003 3120

3130 0.00715 0.04746 0.22777 0.01338 0.08058 0. 33850 0. 02212 0. 12231 0. 45622 3130

3140 0.00702 0.04674 0.22511 0.01317 0.07950 0. 33519 0. 02180 0. 12086 0. 45244 3140

3150 0.00690 0.04603 0.22248 0.01296 0.07844 0. 33191 0. 02149 0. 11942 0. 44868 3150

3160 0.00677 0.04533 0.21988 0.01275 0.07740 0. 32865 0. 02118 0. 11801 0. 44494 3160

3170 0.00665 0.04464 0.21730 0.01255 0.07636 0.32542 0. 02088 0. 11661 0. 44123 3170

3180 0.00653 0.04396 0.21475 0.01235 0.07534 0.32222 0. 02058 0. 11522 0. 43754 3180

3190 0.00642 0.04329 0.21223 0.01216 0.07434 0. 31905 0. 02028 0. 11386 0. 43388 3190

3200 0.00630 0.04263 0.20973 0.01 196 0.07334 0. 31590 0.01999 0. 11250 0. 43024 3200

3210 0.00619 0.04198 0.20726 0.01177 0.07236 0. 31277 0. 01971 0. 11117 0. 42663 3210

3220 0.00608 0.04134 0.20481 0.01158 0.07139 0. 30967 0. 01942 0. 10984 0. 42304 3220

3230 0.00597 0.04071 0.20239 0.01140 0.07044 0. 30660 0. 01914 0. 10854 0. 41947 3230

3240 0.00586 0.04008 0. 19999 0.01122 0.06949 0. 30356 0.01887 0. 10725 0. 41593 3240

3250 0.00576 0.03947 0. 19762 0.01104 0.06856 0. 30053 0. 01860 0. 10597 0. 41241 3250

3260 0.00566 0.03887 0. 19528 0.01087 0.06764 0. 29754 0. 01833 0. 10471 0. 40891 3260

3270 0.00556 0.03827 0.19295 0.01069 0.06674 0.29457 0. 01807 0. 10346 0. 40544 3270

3280 0.00546 0.03769 0.19066 0.01052 0.06584 0. 29162 0. 01781 0. 10223 0. 40199 3280

3290 0.00536 0.03711 0. 18838 0.01035 0.06496 0. 28870 0.01755 0. 10101 0. 39857 3290

3300 0.00526 0.03654 0. 18613 0.01019 0.06409 0. 28580 0. 01730 0.09981 0. 39517 3300

3310 0.00517 0.03598 0.18391 0.01003 0.06323 0. 28293 0. 01705 0. 09862 0. 39179 3310

3320 0.00508 0.03543 0.18171 0.00987 0.06238 0. 28009 0. 01681 0. 09744 0. 38843 3320

3330 0.00499 0.03489 0.17953 0.00971 0.06154 0. 27726 0. 01657 0. 09628 0. 38510 3330

3340 0.00490 0.03435 0. 17737 0.00956 0.06071 0. 27446 0. 01633 0. 09513 0. 38179 3340

3350 0.00481 0.03383 0.17524 0.00941 0.05990 0. 27169 0. 01610 0. 09399 0.37850 3350

3360 0.00472 0.03331 0.17313 0.00926 0.05909 0. 26894 0. 01586 0. 09287 0. 37524 3360

3370 0.00464 0.03279 0.17104 0.00911 0.05830 0. 26621 0. 01564 0. 09176 0. 37200 3370

3380 0.00456 0.03229 0. 16898 0.00896 0.05751 0. 26351 0. 01541 0. 09066 0. 36873 3380

3390 0.00448 0.03179 0.16694 0.00882 0.05674 0. 26083 0. 01519 0. 08957 0.36559 3390

3400 0.00440 0.03131 0. 16492 0.00868 0.05597 0.25817 0. 01497 0. 08850 0. 36241 3400

3410 0.00432 0.03082 0. 16292 0.00854 0.05522 0. 25554 0. 01476 0. 08744 0. 35926 3410

3420 0.00424 0.03035 0.16094 0.00841 0.05447 0.25293 0. 01455 0. 08639 0.35614 3420

3430 0.00416 0.02988 0.15899 0.00827 0.05374 0. 25034 0. 01434 0. 08536 0.35303 3430

3440 0.00409 0.02942 0.15705 0.00814 0.05301 0. 24778 0. 01413 0. 08434 0. 34995 3440

3450 0.00402 0.02897 0. 15514 0.00801 0.05230 0. 24524 0. 01393 0. 08332 0.34689 3450

3460 0.00395 0.02852 0.15325 0.00789 0.05159 0. 24272 0. 01373 0. 08233 0. 34385 3460

3470 0.00388 0.02808 0.15138 0.00776 0.05090 0.24022 0. 01353 0.08134 0. 34083 3470

3480 0.00381 0.02765 0.14953 0.00764 0.05021 0.23774 0.01334 0. 08036 0.33783 3480

3490 0.00374 0.02723 0. 14770 0.00752 0.04953 0. 23529 0. 01315 0. 07940 0. 33486 3490

3500 0.00367 0.02681 0.14589 0.00740 0.04886 0.23286 0.01296 0. 07844 0. 33191 3500

3510 0.00361 0.02639 0.14410 0.00728 0.04820 0. 23045 0.01278 0. 07750 0. 32898 3510

3520 0.00354 0.02598 0. 14233 0.00716 0.04755 0. 22807 0. 01259 0. 07657 0. 32607 3520

3530 0.00348 0.02558 0. 14058 0.00705 0.04690 0. 22570 0. 01241 0. 07565 0. 32318 3530

3540 0.00342 0.02519 0.13885 0.00694 0.04627 0. 22335 0. 01223 0. 07474 0. 32031 3540

3550 0.00336 0.02480 0.13714 0.00683 0.04564 0.22103 0.01206 0. 07384 0.31747 3550

3560 0.00330 0.02441 0. 13544 0.00672 0.04502 0. 21873 0. 01 189 0. 07295 0. 31464 3560

3570 0.00324 0.02404 0. 13377 0.00661 0.04441 0. 21645 0. 01172 0. 07207 0. 31184 3570

3580 0.00318 0.02367 0. 13211 0.00651 0.04381 0. 21419 0. 01155 0. 07120 0. 30906 3580

3590 0.00312 0.02330 0. 13048 0.00640 0.04321 0. 21195 0. 01138 0. 07034 0. 30630 3590

147
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

V -(f°-eo)/t so C° -(f°-e°)/t s° eg -(f°-eo)/t S° cm

T= 800. T= 900. T = 1000.

3600 0.00307 0.02294 0. 12886 0.00630 0. 04263 0. 20973 0.01122 0. 06949 0. 30356 3600

3610 0.00301 0.02258 0.12726 0.00620 0. 04205 0. 20753 0.01106 0. 06866 0. 30084 3610

3620 0.00296 0.02223 0.12568 0.00610 0. 04148 0. 20535 0.01090 0. 06783 0. 29814 3620

3630 0.00291 0.02189 0. 12411 0.00601 0.04091 0. 20319 0.01074 0. 06701 0. 29546 3630

3640 0.00285 0.02155 0. 12257 0.00591 0. 04036 0. 20105 0.01059 0.06620 0. 29280 3640

3650 0.00280 0.02122 0.12104 0.00582 0. 03981 0. 19894 0.01044 0. 06540 0. 29016 3650

3660 0.00275 0.02089 0.11953 0.00572 0. 03927 0. 19684 0.01029 0. 06461 0. 28754 3660

3670 0.00270 0.02056 0. 11804 0.00563 0. 03873 0. 19476 0.01014 0. 06383 0. 28494 3670

3680 0.00266 0.02024 0.11656 0.00554 0. 03821 0. 19270 0.01000 0. 06306 0. 28236 3680

3690 0.00261 0.01993 0.11510 0.00546 0.03769 0.19066 0.00985 0. 06229 0. 27980 3690

c°

p cm

3700 0. 00256 0. 01962 0. 11365 0. 00537 0.03717 0. 18863 0. 00971 0. 06154 0. 27726 3700

3710 0. 00252 0. 01931 0. 11223 0. 00528 0. 03667 0. 18663 0. 00957 0. 06080 0. 27474 3710

3720 0. 00247 0. 01901 0. 11082 0.00520 0. 03617 0. 18465 0. 00944 0. 06006 0. 27224 3720

3730 0. 00243 0. 01872 0. 10942 0. 00512 0.03567 0. 18268 0.00930 0. 05933 0. 26976 3730

3740 0. 00238 0. 01843 0. 10805 0. 00504 0.03519 0. 18074 0. 00917 0. 05861 0. 26730 3740

3750 0. 00234 0. 01814 0. 10668 0.00496 0.03471 0.17881 0. 00904 0. 05790 0. 26486 3750

3760 0. 00230 0. 01786 0. 10534 0. 00488 0. 03423 0. 17690 0. 00891 0. 05720 0. 26243 3760

3770 0. 00226 0. 01758 0. 10401 0.00480 0. 03377 0. 17501 0. 00878 0. 05651 0. 26003 3770

3780 0. 00222 0. 01731 0. 10269 0. 00472 0.03331 0. 17313 0. 00865 0. 05582 0. 25764 3780

3790 0. 00218 0. 01704 0. 10139 0. 00465 0.03285 0. 17128 0. 00853 0. 05514 0. 25528 3790

3800 0. 00214 0. 01677 0. 10011 0. 00458 0.03240 0. 16944 0. 00841 0. 05447 0. 25293 3800

3810 0. 00210 0. 01651 0. 09884 0. 00450 0.03196 0. 16762 0.00829 0.05381 0. 25060 3810

3820 0. 00206 0. 01625 0. 09758 0. 00443 0.03152 0. 16581 0.00817 0. 05316 0. 24829 3820

3830 0. 00203 0. 01600 0. 09634 0. 00436 0.03109 0. 16403 0. 00805 0. 05251 0. 24600 3830

3840 0. 00199 0. 01575 0. 09511 0. 00429 0.03067 0. 16226 0. 00794 0. 05187 0. 24372 3840

3850 0. 00196 0.01550 0. 09390 0. 00422 0.03025 0. 16051 0. 00782 0. 05124 0. 24147 3850

3860 0. 00192 0. 01526 0. 09271 0.00416 0.02983 0. 15877 0. 00771 0. 05062 0. 23923 3860

3870 0. 00189 0. 01502 0. 09152 0.00409 0.02942 0. 15705 0. 00760 0. 05000 0. 23701 3870

3880 0. 00185 0. 01479 0. 09035 0. 00403 0.02902 0. 15535 0. 00749 0. 04939 0. 23480 3880

3890 0. 00182 0. 01456 0. 08920 0.00396 0.02362 0. 15367 0. 00738 0. 04879 0.23262 3890

3900 0. 00179 0. 01433 0. 08806 0. 00390 0.02823 0. 15200 0. 00728 0. 04820 0. 23045 3900

3910 0. 00176 0. 01411 0. 08693 0. 00384 0.02784 0. 15035 0. 00717 0.04761 0.22830 3910

3920 0.00172 0. 01389 0. 08581 0. 00378 0.02746 0. 14871 0. 00707 0. 04703 0.22617 3920

3930 0. 00169 0. 01367 0. 08471 0. 00372 0.02708 0. 14709 0. 00697 0. 04646 0. 22406 3930

3940 0. 00166 0. 01345 0. 08362 0. 00366 0.02671 0. 14549 0. 00687 0. 04589 0. 22196 3940

3950 0. 00163 0. 01324 0. 08255 0. 00360 0.02635 0. 14390 0. 00677 0. 04533 0. 21988 3950

3960 0. 00160 0. 01304 0. 08148 0. 00354 0.02598 0. 14233 0.00668 0. 04478 0. 21781 3960

3970 0.00158 0.01283 0. 08043 0. 00349 0.02563 0. 14077 0. 00658 0. 04423 0. 21577 3970

3980 0. 00155 0. 01263 0. 07940 0. 00343 0.02527 0. 13923 0. 00649 0. 04369 0. 21374 3980

3990 0. 00152 0. 01243 0. 07837 0. 00338 0.02493 0. 13770 0. 00639 0. 04316 0.21173 3990

4000 0.00149 0.01224 0.07736 0. 00332 0.02458 0. 13619 0. 00630 0.04263 0. 20973 4000

I

1

148
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

V -(F°-Eg)/T S° CO -(F°-E°)/T S° 0° -(F°-E°)/t S°

T= 1100. L £. u W . T= 1300.

100 4. 17062 6. 03066 1 .98434 4. 33292 6. 20334 1 .98479 4.48299 6. 36222 1 .98514 100

110 3- 99392 5. 84156 1 .98375 4. 15519 6. 01419 I .98429 4, 30438 6. 17304 1 .98472 110

n')3^H O J J u o 5.66898 1 3.99392 84156 1 .98375 4, 14224 6.00037 1 .98425 120

UO 1 C 1 5. 51027 . 7 O t J 7 3. 84648 5, 68280 1 .98315 3, 99392 5. 84156 1 .98375 1 30

1 UCi -* C O t. 5. 36339 3. 71080 ^ • J ^ J J 1 .98251 3. 85738 5. 69457 1 .98320 140

3. 42810 5. 22670 1X . 98081 3. 58527 5 , 39910 1.98182 3. 73098 5. 55776 1.98261 150

160 3. 31241 5. 09889 1 .97993 3. 46857 5. 27122 1 .98109 3. 61341 5. 42983 1 .98199 160

170 3. 20447 4. 97888 1 .97900 3. 35962 5. 15114 1 .98030 3. 50360 5. 30969 1 .98132 170

180 3. 10338 4. 86580 1 .97802 3. 25753 5. 03797 1 .97947 3. 40066 5. 19646 1 .98061 180

190 3. 00842 4. 75888 1 .97697 3. 16156 4. 93097 1 .97860 3. 30384 5. 08939 1 .97986 190

200 2. 91893 4. 65750 1 .97588 3. 07108 4. 82950 1 .97767 3. 21252 4. 98786 1 .97908 200

210 2. 83439 4. 56112 1 .97472 2. 98555 4. 73304 I .97670 3. 12614 4. 89132 1 .97825 210

220 2. 75434 4.46929 1 .97351 2. 90451 4. 64110 1 .97569 3. 04426 4. 79931 1 .97738 220

230 2.67836 4. 38159 I .97225 2. 82756 4. 55330 1 .97462 2. 96647 4. 71143 1.97647 230

240 2.60612 4. 29768 1 .97093 2. 75434 4. 46929 1 .97351 2. 89242 4. 62734 1 .97553 240

CO

P

V

-1 cm

250 2.53731 4. 21725 1 . 96956 2 .68455 4, 38875 \ . 97236 2 .82180 4. 54671 1 .97454 250

260 2.47164 4. 14003 I . 968 1

2 .61792 4, 31141 \ . 971 15 2 .75434 4.46929 1 .97351 260

270 ?. 4(1889 4. 06578 1 . 96664 2 .55420 4. 1 . 96991 2 .68980 4. 39483 1 .97245 270

280 ^ • O O "T 3. 99428 1L . 7 U ^ 1, 1. 2.49319 4 I. U J *T J 1 . 7 u X 2.62797 4. 32311 1 .97134 280

290 2.29130 3.92535 I .96351 2 .43470 4. 09637 1 .96727 2 .56866 4. 25396 1 .97020 290

300 2 . 23609 3.85882 1L .96187 2 .37854 4, 02970 1 . 96588 2 .51169 4. 18718 1 .96901 300

310 2 . 18307 3. 79451 I .96017 2 .32457 3, 96526 , 96445 2.45691 4. 12264 I .96779 310

320 3. 73231 1X . 7 J A 2 .27265 1

1. . 9ft?97 7 VJ £. 7 1 2 .40418 4. 06018 1 .96653

330 2.08 302 3. 67207 1L . 95660 2 .22264 1X .. 9#>1 7SJ 4'5 X "T J 2 .35337 3. 99969 1 .96523 330

340 2.03574 3. 61369 1L . 95474 2 .17443 78400 1 .95988 2.30437 3.94104 1 .96389 340

350 1.99016 3. 55705 1 .95282 2 .12793 3. 72722 1 .95826 2 .25706 3. 88413 1 .96251 350

360 1,94618 3. 50207 1 .95086 2.08302 3. 67207 1 .95660 2 .21136 3. 82887 1 .96109 360

370 1.90369 3. 44864 1 .94883 2 .03962 3. 61849 1 .95490 2 .16717 3. 77516 1 .95963 370

380 1.86264 3.39670 1 .94676 1 .99765 3. 56638 1 .95315 2.12442 3. 72292 1 .95814 380

390 1.82293 3. 34616 1 .94463 1.95703 3. 51567 1 .95135 2 .08302 3. 67207 1 .95660 390

400 1.78450 3. 29695 1 .94245 1 .91769 3. 46628 1 .94951 2 .04290 3.62256 1 .95503 400

410 1.74729 3. 24902 1 .94022 1 .87958 3. 41817 1 .94763 2 .00401 3. 57430 1 .95342 410

420 1.71123 3. 20229 1 .93794 1.84262 3. 37126 1 .94570 1 .96628 3. 52725 1.95177 420

430 1.67627 3. 15672 1 .93560 1 .80677 3. 32550 1 .94373 1 .92966 3. 48134 1 .95008 430

440 1.64235 3. 11224 1 .93322 1 .77197 3. 28084 1 .94172 1 .89410 3. 43653 1 .94836 440

450 1.60944 3. 06883 1 .93078 1 .73817 3. 23722 1 .93966 1 .85954 3. 39276 1 .94660 450

460 1.57748 3. 02642 1 .92829 1 .70533 3. 19461 1 .93755 1 .82594 3. 35000 1 .94480 460

470 1.54643 2. 98497 1 .92575 1 .67340 3. 15297 1 .93541 1 .79326 3. 30819 1 .94296 470

480 1.51625 2. 94446 1 .92316 1 .64235 3. 11224 1 .93322 1 .76146 3. 26731 1 .94109 480

490 1.48691 2. 90483 1 .92052 1 .61214 3. 07241 1 .93098 1 .73050 3. 22730 1 .93917 490

500 1.45836 2. 86606 1 .91783 1 .58274 3. 03342 1 .92871 1 .70036 3. 18815 1 .93723 500

510 1.43059 2. 82811 1 .91509 1 .55411 2. 99525 1 .92639 1 .67098 3. 14980 1 .93524 510

520 1.40355 2. 79095 1 .91230 1 .52621 2. 95786 1 .92403 1 .64235 3. 11224 1 .93322 520

530 1.37722 2. 75455 1 .90946 1 .49903 2. 92124 1 .92163 1 .61444 3. 07544 1 .93116 5 30

540 1.35156 2. 71888 1 .90658 1 .47254 2. 88534 1 .91918 1 .58721 3. 03936 1 .92906 540

550 1.32657 2. 68392 1 .90364 I .44670 2. 85015 1 .91670 1 .56065 3. 00398 1 .92693 550

560 1.30220 2. 64965 1 .90066 1.42149 2. 81563 1 .91417 1 .53472 2. 96928 1 .92476 560

570 1.27844 2. 61604 1 .89762 1 .39690 2. 78178 1 .91160 1 .50940 2. 93523 1 .92256 5 70

580 1.25526 2. 58306 1 .8945^ 1 .37290 2. 74855 I .90899 1 .48468 2. 90182 1.92032 580

590 1.23264 2. 55070 1 .89142 I .34946 2. 71594 1.90633 1 .46053 2. 86901 1 .91804 590

149
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

cm

-1

(FO-Eo)/T S° C°P (f°-eo)/t s° COP -(F°-Eg)/T S° C°

P cm

T=1100. T=1200. T=1300.

600 1.21057 2 .51894 1 .88824 1 .32657 2 .68392 1 .90364 1 .43693 2 .83679 1 .91573 600

610 1.18902 2 .48775 1 .88502 1 .30421 2 .65248 1 .90091 1 .41386 2 .80515 I .91338 610

620 1. 16798 2 .45713 1 .88175 1 .28236 2 .62159 1 .89813 1 .39131 2 .77405 1 .91100 620

630 1.14743 2 .42705 1 .87844 1 .26100 2 .59125 1 .89532 1 .36925 2 .74350 1 .90858 630

640 1.12736 2 .39749 1 . 87508 . 24012 2 . 56 142 \ .89246 I . 34768 2 .71 346 \ . 906 1

640

650 1.10774 2 .36844 1 .87167 1 .21970 2 .53210 1 .88957 1 .32657 2 .68392 1 .90364 650

660 1.08856 2 .33989 1 .86822 1 .19973 2 .50327 1 .88664 1 .30591 2 .65488 1 .90112 660

670 1.06981 2 .31183 1 .86473 1 .18020 2 .47493 1 .88367 1 .28568 2 .62631 1 .89856 670

680 1.05148 2 .28423 1 .86119 1 . 16108 2 .44704 1 .88065 1 .26588 2 .59820 1 .89597 680

690 1.03355 2 .25708 . 85760 1 . 14237 2 .41961 1 . 87760 I . 24649 2 .57054 1 .893 35 690

700 1.01601 2 .23038 1 .85398 1 .12406 2 .39261 1 .87452 1 .22750 2 .54332 1 .89069 700

710 0.99885 2 .20411 1 .85031 1 .10612 2 . 36605 1 .87139 1 .20890 2 .51652 1 .88800 710

720 0.98206 2. 17825 1 .84659 1 .08856 2 .33989 I .86822 I .19066 2 .49013 1 .88527 720

730 0.96562 2 . 15281 1 .84283 1 .07136 2 .31415 1 .86502 1 .17280 2 .46415 1 .88251 730

740 0.94953 2 .12776 . 83903 1 .05451 2 .28879 .86178 1 .15 528 2 .43855 .87972 740

750 0.93377 2 .10310 1 .83519 1 .03800 2 .26383 1 .85850 1 .13811 2 .41334 1 .87689 750

760 0.91834 2 .07882 1 .83131 1.02182 2.23923 1 .85519 1 .12127 2 .38850 1 .87404 760

770 0.90323 2 .05491 1 . 82738 1 .00596 2 .21500 1 .85184 1 . 10476 2.36402 1 .87115 770

780 0.88843 2 .03135 1 .82341 0 .99041 2 .19113 1 .84845 1 .08856 2 .33989 1 .86822 780

790 0 . 87392 2 .00815 1 . R1 94

0 .97517 2 . 16760 1 . 84503 1 .07267 2 .31611 \ .86527 790

800 0.85971 1 .98529 1 .81536 0 .96022 2 .14442 1 .84157 1 .05708 2 .29267 1 .86228 800

810 0.84578 1 .96276 1 .81127 0 .94556 2 .12156 1 .83808 1 .04178 2 .26955 1 .85926 810

820 0.83213 1 .94056 1 .80715 0 .93118 2 .09903 I .83455 1 .02676 2 .24676 1 .85621 820

830 0.81874 1.91868 1 .80298 0 .91707 2 .07681 1 .83098 1 .01202 2 .22428 1 .85313 830

840 \J * J ^ c 1 .89712 1 79fl77 0 .90323 2 .05491 11. fl? 7^ ft 0 .99755 2 .20210 I . 8500? 840

850 0.79275 1 .87585 1 .79453 0 .88965 2 .03330 1 .82375 0 .98334 2 . 18023 1 .84688 850

860 0.78013 1 .85489 1 .79025 0 .87632 2 .01199 1 .82008 0 .96938 2 .15865 I .84370 860

870 Q.lbllb 1 -83422 1 .78593 0 .86324 1 .99097 1 .81638 0 .95568 2 .13735 1 .84050 870

880 0.75562 1 .81383 1 .78157 0 .85039 1 .97024 1 .81264 0.94222 2 .11633 1 .83726 880

890 0.74370 1 .79373 1 .77718 0 .83778 I .94977 1 .80887 0 .92899 2 .09559 1 .83400 890

900 0.73202 1.77389 1 .77275 0 .82540 1 .92958 I .80507 0 .91600 2 .07512 1 .83071 900

910 0.72055 I .75433 1 .76829 0 .81324 1 .90966 1 .80123 0 .90323 2 .05491 1 .82738 910

920 0.70930 1 .73503 1 .76379 0.80130 1 .89000 1 .79736 0 .89069 2 .03495 1 .82403 920

930 0.69825 1 .71598 1 .75925 0 .78958 1 .87059 1 .79346 0 .87835 2 .01525 1 .82064 930

940 0.68741 1 .69719 1 .75468 0 .77805 I .85142 1 .78953 0 .86623 1 .99580 1 .81723 940

950 0.67676 1.67865 1 .75007 0 .76674 1 ,83251 1 .78557 0 .85432 1 .97659 1 .81379 950

960 0.66631 1 .66035 1 .74543 0 .75562 1 .81383 1 .78157 0 .84261 I .95761 1 .81032 960

970 0.65605 1 .64228 1 .74076 0 .74469 I .79539 1 .77755 0.83109 1 .93887 1 .80683 970

980 0.64598 1 .62445 1 .73605 0 .73395 1 .77718 1 .77349 0 .81976 1 .92036 1 .80330 980

990 0.63608 1 .60685 1 .73131 0 .72340 1 .75920 1 .76941 0 .80863 1 .90207 1 .79975 990

1000 0. 62636 1 .58948 1 .72654 0. 71302 1. 74143 1. 76529 0. 79767 1. 88400 1 .79617 1000

1010 0. 61682 1 .57232 1 .72173 0. 70283 1. 72389 1. 76114 0. 78690 1. 86614 1 .79256 1010

1020 0. 60744 1 .55538 1 .71690 0.69280 1. 70656 1. 75697 0.77630 I. 84850 1 .78893 1020

1030 0. 59823 1 .53866 1 .71203 0. 68295 1. 68944 1. 75276 0. 76587 1. 83106 1.78526 1030

1040 0. 58918 1 .52214 1 .70713 0. 67326 I. 67252 1. 74853 0. 75562 1. 81383 1 .78157 1040

1050 0- 58029 1 .50582 1 .70221 0. 66373 1. 65581 1. 74427 0. 74552 1. 79680 1 .77786 1050

1060 0. 57155 1.48971 1 .69725 0. 65436 1. 63930 1. 73998 0. 73559 1. 77997 I .77412 1060

1070 0. 56296 I .47380 1 .69226 0. 64515 1. 62298 1. 73566 0. 72582 1. 76333 1 .77035 1070

1080 0. 55452 1.45808 1 .68724 0. 63608 1. 60685 1. 73131 0. 71620 1. 74688 1 .76656 1080

1090 0. 54623 1 .44255 1 .68220 0. 62717 1. 59092 1. 72694 0. 70673 1. 73061 1 .76274 1090

150
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

V

—

cm

-(F°--Eg)/T so CO

P

-(FO-Eo)/t so CO

P

-(F°-Eo)/t so CO

P

V

cm

T =1100. T= 1200. T =1300.

1100 0. 53808 1 .42721 1 .67713 0.61840 1. 57517 1 .72254 0. 69741 1 .71453 1.75890 1100

1110 0. 53006 1 .41206 1 .67202 0.60977 I. 55960 1 .71811 0. 68823 1 .69863 1.75503 1110

1120 0.52218 1 .39709 I .66690 0.60128 I. 54421 1 .71366 0. 67920 1 .68291 1.75114 1120

1130 0. 51444 1 .38229 1 .66174 0.59293 1. 52899 1 .70918 0. 67031 1 .66736 1.74722 1130

1140 0. 50682 1 .36767 I .65656 0.58471 1. 51396 1 .70467 0. 66155 1 .65198 1.74328 1140

1150 0. 49933 1 .35323 1 .65135 0.57663 1. 49909 1 .70014 0. 65293 1 .63677 1.73931 1150

1160 0. 49197 1 .33895 1 .64612 0.56867 1. 48439 1 .69559 0. 64444 1 .62173 1.73532 1160

1170 0. 48473 1 .32485 1 .64086 0.56084 1. 46985 1 .69101 0.63608 1 .60685 1.73131 1170

1180 0. 47761 1 .31090 1 .63557 0.55313 1. 45548 1 .68641 0. 62785 1 .59214 1.72728 1180

1190 0. 47061 1 .29712 1 .63026 0.54554 I. 44127 1 .68178 0. 61974 1 .57758 1.72322 1190

1 7nn u • •to J f c 1. . c O J J VJ

1I . O t 7 3 U . J J O w o 1 .42721 1.67713 \j .

/=% 1 I 7 S 1 .56317 L . f 1. 7 1 J7 1X £.?nnu W

1

1 £9 1.1 nu V • *T LJ O 7 *T 1 • c. 1 u u t

1 . O X 7 I? 1 1 .41332 1 .67245 nu . 0\J J <J o 1 .54892 X1 £17 1X n

u • *t U t o 1 7 ^ A 7 II .

Z,O

11 H

A ^

T nU U . I> ^ J *T 7 1 . 39957 I .66775 nu . Q A

U 7 O i. J 1 .53483 1L • 71

1 non

U 7U 1 9 9 n

U • Die. i . /it ^ !) O i . O U o 1 7 U . !7 1 O J O I . 38597 I .66303 U . 3 O C5H7 1 .52088 i . f VJO r O

1240 0.43727 1.23057 1 .60337 0.50935 1 .37253 1 .65829 0. 58097 1 .50707 1.70259 1240

i ^ 7\J 1 c;q 7Q 9 1 .35923 1 .65352 0. 57355 1 .49341 1L • AO Q70n 3Q I 9 t\ A I I 9U

1 9An U • *t O O

1 9 A R A 1 1L • 9 79 A A c H O 1 .34607 1 .64874 0. 56625 1 .47990 1 AO A 1 A L • O 7H 11I ^9AAOU

\.C 1 9 7n%\J U • 1 O

1 1 Q 9 A 11 • 9 QOOAQ77 f A A A R Q A 1 .33306 1 .64393 0. 55905 1.46652 1 A A Q Q e; 1 • O O 7 7 9 1 9 7 A

1 9 on n A.1 9 A Q 1 1 CAA1L c Q 1 A A • 9 O i*t-0 A AS 9 ^

U • Ho c 9n 1 .32018 1 .63910 0. 55196 1 .45328 1 A A R AQ 1 9 Q A 1 Z oU

1290 0.40655 1.16773 1 .57593 0.47585 1 .30744 1 .63425 0. 54497 I .44018 1.68142 1290

1 inn n A. A A A Q 1 1 C\ C\ d i • 1 J 9 D O 1 7 n ^ o A AAOACs U • HO 7H9 1 .29484 1 .62938 0. 53808 1 .42721 1 A 7 7 1

"2 1 . o f r i 3

11 inn 3UU

A A Q "3 1 1 A 1 7 I • 1 H J 9 f 1 QAAfl 1 . 5oHol A A A 1 1 U • Ho i 1

1 .28238 1 .62449 0. 53129 1 .41438 1 A 7 O D 1 1 . 6 r 2 o I 1 310

r» 1 o fi o ^

i • I 3 169 1 .55922 U • HDo'Jh 1 .27004 1 .61957 0. 52459 1 .40167 1 .66848 1320

1 1 11 1 1 O Q A 1 .55362 A A A Q 1 U • H9 Uo J 1 .25784 1.61464 0. 51800 1 .38910 1 iL Z. A 1 O 1 1 n I 3 3U

1340 0.37819 1.10833 1 .54800 0*44481 1 .24576 1 .60970 0. 51149 I .37665 1.65975 1340

1 '2 R A 1 . 09684 1 .54235 0 . 43oo 1 I .23381 1 .60473 0. 50508 1 .36433 1 c c o z. 1 • 69936 lien 1350

1 3oU f\ 1 ~7 /. ^ 1 n O C A O

I .53670 0 . H J 303 1 .22199 1 .59974 0. 49876 1 .35213 t z. c n n c 1 1 z. n 1 360

1 1 "7 r\ O 1 i T "5 O

1 . 0 f 4^:4 1 .53102 0 . 42 1 Zi 1.21028 1 .59474 0. 49253 1 .34005 1 • 64652 1370

1 '3 a n U

3d fU I i .06 3 1 £. 1 .52533 u . H^: 1 oo 1 .19870 I .58971 0. 48639 1.32809 1 Z. A O A "T I • 64^U f

1 1 o r\ 13 80

1 "a o r\ 139U 0. 35 199 1 .05213 I .51962 0.41601 1 .18724 1 .58467 0. 48033 1 .31625 1 . 63761 1390

1400 0.34699 1.04126 1 .51390 0.41050 1 .17590 1 .57962 0. 47436 1 .30452 1.63312 1400

1410 0. 34207 1.03050 I . 50816 0.40507 1 . 16468 I .57454 0. 46847 1 .29292 1.62863 1410

1420 0.33723 1.01987 1 .50241 0.39973 1 . 15357 1 .56945 0. 46267 1.28142 1.62411 1420

1430 0.33246 1.00934 1 .49664 0.39446 1 . 14257 1 .56435 0. 45694 1 .27004 1.61957 1430

1440 0.32776 0.99893 1 .49086 0.38926 I .13169 1 .55922 0. 45130 1 .25877 1.61502 1440

1450 0.32314 0.98864 1 .48506 0.38414 I . 12092 1 .55409 0.44573 1 .24761 1.61046 1450

1460 0.31858 0.97845 1 .47926 0.37910 1 .11025 1 .54893 0. 44024 1 .23656 1.60588 1460

1470 0.31410 0.96837 1 .47344 0.37413 1 .09970 1 .54377 0. 43482 1 .22561 1.60128 1470

1480 0.30968 0.95840 1 .46761 0.36923 1 .08925 1 .53858 0. 42948 1 .21477 1.59666 1480

1490 0.30533 0.94854 1 .46176 0.36440 1 .07891 1 .53339 0. 42421 1.20403 1.59203 1490

1500 0.30104 0.93878 1 .45591 0.35964 1.06867 1 .52818 0. 41901 1 .19340 1.58739 1500

1510 0.29683 0.92913 1 .45004 0.35494 1 .05853 1 .52295 0. 41388 1 . 18287 1.58273 1510

1520 0.29267 0.91957 1.44416 0.35032 1 .04849 1 .51772 0. 40882 1 . 17244 1.57806 1520

1530 0.28858 0.91012 1 .43828 0.34576 1 .03856 1 .51247 0. 40383 1 .16210 1.57337 1530

1540 0.28454 0.90077 1 .43238 0.34126 1 .02872 1 .50720 0. 39891 1 .15187 1.56867 1540

1550 0.28057 0.89152 1 .42647 0.33683 1 .01898 1 .50193 0. 39405 1 . 14173 1.56395 1550

1560 0.27666 0.88237 1 .42056 0.33246 1 .00934 1 .49664 0. 38926 1 . 13169 1.55922 1560

1570 0.27281 0.87331 1 .41463 0.32815 0 .99980 1 .49134 0. 38453 1 .12174 1.55448 1570

1580 0.26901 0.86435 1 .40870 0.32390 0 .99034 1 .48603 0. 37987 1 .11189 1.54973 1580

1590 0.26527 0.85548 1 .40276 0.31971 0 .98099 1 .48071 0. 37527 1 .10212 1.54496 1590

151
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

V -(f°-e°)/t S° CO -(f°-eo)/t s° eg -(f°-e°)/t s°

cm

T=1100. T=1200. T=1300.

1600 0.26159 0.84670 1 .39681 0. 31558 0.97172 1 .47538 0.37073 1.09245 1.54018 1600

1610 0. 25796 0.83802 1 .39086 0.31151 0.96254 1 .47004 0. 36625 1.08287 1.53539 1610

1620 0. 25438 0. 82942 1 .38490 0. 30750 0.95346 1 .46468 0. 36182 1.07338 1.53058 1620

1630 U • 0.82092 1 .37893 0. 30354 0.94446 1 .45932 0. 35746 1.06398 1.52577 1630

I OHU 0. 24739 0. 81250 1 .37295 0. 29963 1

/. C ^ G R 0. 35316 1 c: A iL 1 c 7 o /. 1 A A O 1 d4U

1650 0. 24396 0. 80417 1 .36698 0.29578 0.92673 1 .44857 0. 34891 1.04543 1.51610 1650

1660 0. 24059 0. 79593 1 .36099 0. 29198 0.91799 1 .44318 0. 34471 1.03628 1.51125 1660

1670 0. 23727 0. 78778 1.35500 0. 28824 0.90934 1 .43778 0. 34057 1.02722 1.50639 1670

1680 0. 23400 0. 77971 1 .34901 0. 28454 0.90077 1 .43238 0. 33649 1.01824 1.50152 1680

11 AQD O 7 u 0. 23078 0. 77172 1 .34301 0. 28090 u . oVij 1i • O Vo 0. 33246 1 r\r*Q7 A

1 . UU73H 1 /lQ A A/l 1 AOn

1700 0. 22760 0. 76381 1 .33701 0.27731 0.88389 1 .42154 0.32848 1.00053 1.49175 1700

1710 0. 22447 0. 75599 1 .33101 0. 27376 0.87556 1 .41611 0. 32455 0.99179 1.48685 1710

1720 0. 22138 0.74824 1 .32500 0. 27027 0.86732 1 .41068 0.32067 0.98314 1.48194 1720

1730 0. 21834 0. 74058 1 .31899 0.26682 0.85916 1 .40524 0. 31685 0.97456 1.47702 1730

0. 21535 0. 73299 1 .31298 0. 26342 r\ O C 1 n Q U . o!> 1 vJo 1 1 OO 7Q 0. 31307 U. VooUo 1 A 7 7 A Q 1.4 f <iUV 1 7 A r\ I 1 4U

1750 0. 21239 0. 72549 1 .30696 0.26007 0.84307 1 .39433 0. 30934 0.95764 1.46716 1750

1760 0. 20948 0. 71806 1 .30095 0.25676 0.83514 1 .38887 0. 30566 0.94929 1.46221 1760

1770 0. 20661 0. 71070 1.29493 0. 25349 0.82729 1 .38340 0. 30203 0.94102 1.45726 1770

1780 0.20378 0. 70343 1 .28891 0. 25027 0.81951 1 .37793 0. 29844 0.93283 1.45230 1780

1.1 7Qn 1 7 u 0. 20100 0. 69622 1 .28289 0. 24710 U . O L 1 (5 1

11 ^ 7 7 A A 0. 29490 f\ O 7 A 7 1 1 AA7 'X'X 1 7 on 1 f

1800 0. 19825 0.68909 1 .27687 0. 24396 0.80417 1 .36698 0. 29140 0.91666 1.44235 1800

1810 0. 19554 0. 68203 1 .27086 0. 24087 0.1<ibbZ 1 .36149 0. 28795 0.90868 1.43737 1810

1820 0. 19288 0. 67505 1 .26484 0. 23782 0.78913 1 .35600 0.28454 0.90077 1.43238 1820

1830 0. 19025 0. 66813 1 .25882 0.23482 0.78172 1 .35051 0. 28118 0.89294 1.42738 1830

11, A&.n o*nj 0. 18765 0. 66129 1 .25281 0. 23185 U . ( 1 Hi 1 1 0. 27786 U . tio D 1 1

1 A O O 1 Q

1850 0. 18510 0. 65452 1 .24679 0. 22892 0.76710 1 .33951 0. 27458 0.87748 1.41737 1850

1860 0. 18258 0. 64781 1 .24078 0. 22603 0.75989 1 .33401 0. 27134 0.86985 1.41235 1860

1870 0. 18009 0. 64117 1 .23477 0. 22318 0.75275 1 .32850 0. 26814 0.86229 1.40733 1870

1880 0. 17765 0. 63461 1.22876 0. 22036 0.74568 1 .32299 0.26499 0.85480 1.40230 1880

loan 0. 17523 0. 62810 1 .22276 0. 21759 0. / 3868 1 .31 f 48 0. 26187 0. 84 737 1 . 39 f 2 7 1 890

1900 0. 17285 0. 62167 1 .21675 0. 21485 0.73174 1 .31197 0. 25879 0.84001 1.39223 1900

1910 0. 17051 0. 61529 1 .21076 0. 21215 0.72487 1 .30646 0. 25575 0.83272 1.38719 1910

1920 0. 16820 0. 60899 1 .20476 0. 20948 0.71806 1 .30094 0. 25275 0.82549 1.38214 1920

1930 0. 16592 0. 60274 1 .19877 0. 20685 0.71131 1 .29543 0. 24978 0.81832 1.37709 1930

1940 0. 16367 0. 59656 1 . 19279 0. 20425 0. 70463 1 .28991 0. 24686 0.81122 1 .37203 1940

1950 0. 16145 0. 59045 1 .18680 0. 20169 0.69802 1 .28440 0. 24396 0.80417 1.36698 1950

1960 0. 15927 0. 58439 1 .18083 0. 19916 0.69146 1 .27888 0. 24111 0.79720 1.36191 1960

1970 0. 15712 0. 57840 1 . 17486 0. 19667 0.68497 1 .27336 0. 23829 0.79028 1.35685 1970

1980 0. 15499 0. 57246 1 .16889 0. 19420 0.67853 1 .26785 0. 23551 0.78342 1.35178 1980

1990 0. 15290 0. 56659 1 . 16293 0. 19177 0.67216 1 .26233 0. 23276 0.77662 1.34670 1990

2000 0. 15083 0. 56078 1 . 15698 0. 18938 0.66585 1 .25682 0. 23004 0.76989 1.34163 2000

2010 0. 14880 0. 55502 1 . 15103 0. 18701 0.65959 1.25130 0. 22736 0. 76321 1.33655 2010

2020 0. 14679 0. 54932 1 . 14509 0. 18467 0.65339 1 .24579 0. 22471 0.75659 1.33147 2020

2030 0. 14481 0. 54368 1 . 13916 0. 18237 0.64726 1 .24028 0. 22209 0.75002 1.32638 2030

2040 0. 14286 0. 53810 1 .13323 0. 18009 0.64117 1 .23477 0. 21951 0.74352 1.32130 2040

2050 0. 14094 0. 53257 1 .12731 0. 17785 0.63515 1.22926 0. 21695 0.73707 1.31621 2050

2060 0. 13904 0. 52710 1 .12140 0.17563 0.62918 1 .22376 0. 21443 0.73068 1.31112 2060

2070 0. 13717 0. 52169 1 .11550 0. 17345 0.62327 1 .21825 0. 21194 0.72434 1.30604 2070

2080 0. 13533 0. 51632 1 .10961 0. 17129 0.61741 1 .21276 0. 20948 0.71806 1.30094 2080

2090 0. 13351 0. 51102 1 .10372 0. 16916 0.61161 1.20726 0. 20705 0.71183 1.29585 2090

c°

p cm

152
V

-1 cm

Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

-(F°-Eg)/T S° C°

P

-(f°-e°)/t c°

p

-(F°-Eo)/t s° c°

p

V

-1 cm

T=1100. T=1200. T=1300.

2100

2110

2120

2130

2140

0.13171 0.50576 1.09784

0.12994 0.50056 1.09198

0.12820 0.49541 1.08612

0.12648 0.49031 1.08027

0.12478 0.48527 1.07443

0.16705 0.60586 1.20177

0.16498 0.60016 1.19628

0.16293 0.59452 1.19079

0.16090 0.58893 1.18531

0.15891 0,58339 1.17983

0.20465 0.70566 1.29076 2100

0.20228 0.69954 1.28567 2110

0.19994 0.69347 1.28058 2120

0.19762 0.68746 1.27548 2130

0.19534 0.68149 1.27039 2140

2150 0. 12311 0.48027 1 .06860 0. 15694 0.57790 1. 17436 0. 19308 0.67558 1.26530 2150

2160 0. 12146 0.47533 1 .06278 0. 15499 0.57246 1. 16889 0. 19085 0.66972 1.26021 2160

2170 0. 11983 0.47043 1 .05698 0. 15307 0.56708 1. 16343 0. 18865 0.66391 1.25512 2170

2180 0. 11823 0.46558 1 .05118 0. 15118 0.56174 1. 15797 0. 18647 0.65816 1.25003 2180

2190 0. 11665 0.46079 I .04539 0. 14930 0.55645 1. 15252 0. 18432 0.65245 1.24494 2190

2200 0. 11509 0.45604 1 .03962 0.14746 0.55122 1. 14707 0. 18219 0.64679 I .23985 2200

2210 0. 11355 0.45134 1 .03386 0.14563 0.54603 1. 14163 0. 18009 0.64117 1 .23477 2210

2220 0. 11203 0.44668 1 .02810 0. 14383 0.54088 1. 13619 0. 17802 0.63561 1 .22969 2220

2230 0. 11053 0.44207 1 .02237 0. 14206 0.53579 1. 13077 0. 17597 0.63010 I .22460 2230

2240 0. 10906 0.43751 1 .01664 0.14030 0.53074 1. 12534 0. 17395 0.62463 1 .21952 2240

2250 0. 10760 0.43300 1,01092 0. 13857 0. 52574 1. 11993 0. 17195 0. 61921 1 .21445 2250

2260 0. 10616 0.42853 1,00522 0. 13686 0. 52079 1. 11452 0. 16997 0. 61383 1 .20937 2260

2270 0. 10475 0.42410 0.99953 0. 13517 0. 51588 1. 10912 0, 16802 0. 60850 1 .20430 2270

2280 0. 10335 0,41972 0.99386 0. 13351 0. 51102 1. 10372 0. 16609 0. 60322 1 . 19923 2280

2290 0. 10197 0.41538 0.98819 0. 13186 0. 50620 1. 09833 0. 16418 0. 59799 1 . 19417 2290

2300 0.10061 0. 41109 0. 98254 0. 13024 0.50142 1 .09295 0. 16230 0. 59279 1. 18910 2300

2310 0.09927 0. 40684 0. 97691 0. 12863 0.49669 1 .08758 0. 16044 0. 58765 1. 18405 2310

2320 0.09795 0. 40263 0. 97129 0. 12705 0.49201 1 .08222 0. 15860 0. 58254 1. 17899 2320

2330 0,09665 0, 39846 0. 96568 0, 12549 0.48736 1 .07686 0. 15679 0. 57748 1. 17394 2330

2340 0,09536 0. 39434 0. 96008 0. 12394 0.48276 1 .07151 0. 15499 0. 57246 1. 16889 2340

2350 0. 09409 0. 39026 0.95451 0, 12242 0.47821 1 .06618 0. 15322 0. 56749 1. 16385 2350

2360 0. 09284 0. 38622 0.94894 0, 12092 0.47369 1 .06085 0. 15147 0. 56256 1. 15881 2360

2370 0. 09160 0. 38222 0.94339 0. 11943 0.46921 1 .05553 0. 14973 0. 55767 1. 15378 2370

2380 0. 09039 0. 37826 0.93785 0. 11796 0.46478 1 .05021 0. 14802 0. 55282 1. 14875 2380

2390 0. 08918 0. 37434 0,93233 0. 11652 0.46039 1 .04491 0. 14633 0. 54802 1. 14372 2390

2400 0. 08800 0. 37045 0. 92683 0. 11509 0.45604 1. 03962 0. 14466 0.54325 1. 13870 2400

2410 0. 08683 0. 36661 0. 92134 0. 11367 0.45173 1. 03434 0. 14301 0.53853 1. 13369 2410

2420 0. 08568 0. 36281 0. 91587 0. 11228 0.44745 1. 02906 0. 14138 0.53384 I. 12868 2420

2430 0. 08454 0. 35904 0. 91041 0. 11090 0.44322 1. 02380 0. 13977 0.52920 1. 12368 2430

2440 0. 08342 0. 35531 0. 90497 0. 10955 0.43903 1. 01855 0. 13817 0.52459 1. 11868 2440

2450 0.08231 0. 35162 0. 89954 0. 10820 0.43487 1. 01330 0. 13660 0, 52003 1. 11369 2450

2460 0.08122 0. 34797 0. 89413 0. 10688 0.43076 1. 00807 0. 13504 0, 51550 1. 10870 2460

2470 0.08014 0. 34435 0. 88874 0. 10557 0.42668 1. 00285 0. 13351 0, 51102 1. 10372 2470

2480 0.07908 0. 34077 0. 88336 0. 10428 0.42263 0. 99764 0. 13199 0. 50657 1. 09875 2480

2490 0.07803 0. 33723 0. 87800 0. 10300 0.41863 0. 99244 0, 13049 0, 50215 1.09378 2490

2500 0.07700 0. 33372 0. 87266 0. 10174 0.41466 0. 98725 0.12900 0.49778 1 .08882 2500

2510 0.07598 0. 33025 0. 86733 0. 10050 0.41073 0.98207 0.12754 0.49344 I ,08387 2510

2520 0.07497 0. 32681 0. 86202 0. 09927 0.40684 0. 97691 0.12609 0.48914 1 ,07892 2520

2530 0.07398 0. 32341 0. 85673 0. 09806 0.40298 0. 97175 0.12465 0,48488 1 ,07398 2530

2540 0.07300 0. 32004 0. 85145 0. 09686 0.39916 0. 96661 0.12324 0,48065 1 ,06905 2540

2550 0. 07203 0.31670 0. 84620 0. 09568 0. 39537 0.96148 0. 12184 0.47646 1.06413 2550

2560 0. 07108 0.31340 0, 84096 0. 09451 0. 39161 0.95636 0. 12046 0.47231 1.05921 2560

2570 0. 07014 0.31013 0. 83573 0. 09336 0. 38790 0.95126 0. 11909 0.46819 1.05430 2570

2580 0. 06921 0.30690 0. 83053 0, 09222 0. 36421 0.94616 0. 11774 0.'<6410 1.04940 2580

2590 0. 06830 0.30370 0. 82534 0. 09109 0. 38056 0.94108 0. 11641 0.46005 1.04450 2590

638951 O - 62 - n

153
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

V -(f°-e°)/t so c° -(fo-e°)/t s° c° -(f°-e°)/t s° cm

T= 1100. T=1200. j = 1300 .

2600 0.06740 0. 30052 0. 82018 0.08998 0.37694 0. 93601 0. 11509 0. 45604 1 .03962 2600

2610 0.06650 0. 29739 0. 81503 0.08889 0.37336 0. 93096 0- 11378 0. 45206 1 .03474 2610

2620 0.06563 0. 29428 0. 80989 0.08780 0.36981 0. 92591 0. 11249 0. 44811 1 .02987 2620

2630 0.06476 0. 29120 0. 80478 0.08673 0.36629 0. 92088 0. 11122 0. 44419 1 .02501 2630

2640 0.06390 0. 28816 0. 79969 0.08568 0.36281 0. 91587 0. 10996 0. 44031 1 .02016 2640

2650 0.06306 0. 28515 0. 79461 0.08463 0.35935 0. 91086 0. 10872 0. 43647 1 .01532 2650

2660 0.06223 0. 28216 0. 78955 0.08360 0. 35593 0. 90587 0. 10749 0. 43265 1 .01049 2660

2670 0.06141 0.27921 0. 78451 0.08259 0.35254 0. 90090 0. 10627 0. 42887 1 .00566 2670

2680 0.06060 0. 27629 0. 77950 0.08158 0.34918 0. 89593 0. 10507 0. 42512 1 .00084 2680

2690 0.05980 0. 27339 0. 77449 0.08059 0.34586 0.89098 0. 10388 0. 42140 0 .99604 2690

c°

p

cm

V

-1

2700 0.05901 0.27053 0. 76951 0. 07961 0.34256 0. 88605 0. 10271 0. 41771 0. 99124 2700

2710 0.05823 0.26769 0. 76455 0.07864 0.33929 0. 88112 0. 10155 0. 41406 0. 98645 2710

2720 0.05746 0.26488 0. 75961 0. 07769 0.33606 0. 87622 0. 10040 0. 41043 0. 98168 2720

2730 0.05670 0.26211 0. 75468 0. 07674 0.33285 0. 87132 0. 09927 0. 40684 0. 97691 2730

2740 0.05596 0.25936 0. 74978 0. 07581 0. 32967 0. 86644 0. 09815 0. 40327 0. 97215 2740

2750 0.05522 0. 25663 0.74490 0.07489 0. 32653 0. 86158 0. 09704 0.39974 0. 96740 2750

2760 0.05449 0. 25394 0.74003 0.07398 0. 32341 0. 85673 0. 09595 0.39624 0. 96266 2760

2770 0.05377 0. 25127 0.73518 0.07308 0.32032 0. 85189 0. 09487 0.39277 0. 95794 2770

2780 0.05307 0. 24863 0.73036 0.07219 0. 31726 0. 84707 0. 09380 0.38932 0. 95322 2780

2790 0.05237 0. 24602 0.72555 0.07132 0. 31422 0. 84226 0. 09274 0.38591 0.94851 2790

2800 0.05168 0 .24343 0. 72077 0. 07045 0. 31122 0.83747 0. 09170 0 .38252 0 .94382 2800

2810 0.05100 0.24087 0. 71600 0. 06960 0. 30824 0.83270 0. 09066 0 .37917 0 .93913 2810

2820 0.05033 0 .23833 0.71126 0. 06875 0. 30529 0.82793 0. 08964 0 .37584 0.93446 2820

2830 0.04966 0 .23582 0. 70653 0. 06792 0. 30237 0.82319 0. 08864 0 .37254 0 .92979 2830

2840 0.04901 0 -23334 0. 70182 0. 06710 0. 29947 0.81846 0. 08764 0 .36927 0 .92514 2840

2850 0.04837 0 .23088 0. 69714 0. 06628 0. 29661 0.81374 0. 08665 0 .36602 0 .92050 2850

2860 0.04773 0 .22845 0. 69247 0. 06548 0. 29376 0.80904 0. 08568 0 .36281 0 .91587 2860

2870 0.04710 0 .22604 0. 68783 0. 06469 0. 29095 0.80436 0. 08471 0 .35962 0 .91125 2870

2880 0.04648 0 .22365 0. 68320 0. 06390 0. 28816 0.79969 0. 08376 0 .35646 0 .90664 2880

2890 0.04587 0 .22129 0. 67860 0. 06313 0. 28540 0.79503 0. 08282 0 .35332 0 .90204 2890

2900 0.04527 0 .21896 0. 67401 0. 06237 0. 28266 0.79039 0.08189 0.35021 0 .89746 2900

2910 0.04467 0 .21664 0.66945 0. 06161 0. 27994 0.78577 0. 08097 0 .34713 0 .89288 2910

2920 0.04409 0 .21436 0. 66491 0. 06087 0. 27726 0.78117 0. 08006 0 .34408 0 .88832 2920

2930 0.04351 0 .21209 0. 66038 0. 06013 0. 27459 0.77658 0. 07916 0 .34105 0 .88377 2930

2940 0.04294 0 .20985 0.65588 0. 05940 0. 27196 0.77200 0. 07827 0 .33805 0 .87924 2940

2950 0.04237 0 .20763 0. 65140 0. 05868 0. 26934 0.76744 0. 07739 0 .33507 0 .87471 2950

2960 0.04182 0 .20543 0. 64694 0.05797 0. 26675 0.76290 0. 07653 0 .33212 0.87020 2960

2970 0.04127 0 .20326 0. 64250 0. 05727 0. 26419 0.75838 0. 07567 0 .32919 C .86569 2970

2980 0.04073 0 .20111 0. 63808 0. 05658 0. 26165 0.75387 0. 07482 0 .32629 0 .86121 2980

2990 0.04019 0 . 19897 0. 63368 0. 05590 0. 25913 0.74937 0.07398 0 .32341 0 .85673 2990

3000 0.03966 0 .19687 0.62930 0. 05522 0. 25663 0.74490 0. 07315 0 .32055 0 .85226 3000

3010 0.03914 0 .19478 0. 62494 0.05455 0. 25416 0.74044 0. 07233 0 .31773 0 .84781 3010

3020 0.03863 0 .19271 0. 62061 0. 05389 0. 25171 0.73599 0. 07152 0 .31492 0 .84337 3020

3030 0.03812 0 .19067 0. 61629 0. 05324 0. 24929 0.73156 0. 07072 0 .31214 0 .83895 3030

3040 0.03762 0 .18865 0. 61200 0.05260 0.24688 0.72715 0. 06993 0 .30938 0.83453 3040

3050 0.03713 0 .18664 0.60772 0.05196 0. 24450 0.72276 0. 06914 0 .30665 0 .83013 3050

3060 0.03664 0 .18466 0. 60347 0. 05134 0. 24214 0.71838 0. 06837 0 .30394 0 .82574 3060

3070 0.03616 0.18270 0. 59924 0.05072 0.23981 0.71402 0. 06760 0 .30125 0 .82137 3070

3080 0.03569 0,18076 0. 59502 0. 05011 0.23749 0.70968 0. 06685 0 .29859 0 .81700 3080

3090 0.03522 0 . 17883 0. 59083 0.04950 0.23520 0.70535 0. 06610 0 .29595 0 .81266 3090

154
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

V -(fo-eo)/t s° c° -(f°-e°)/t s° eg -(f°-e°)/t s° ^

(J p f \J cm

T= 1 100. T= 1200. T=1300.

3100 0. 03476 0. 17693 0. 58666 0. 04890 0. 23293 0. 70104 0. 06536 0.29333 0.80832 3100

3110 0. 03430 0. 17505 0. 58251 0. 04831 0. 23068 0.69675 0. 06463 0.29073 0.80400 3110

3120 0. 03385 0. 17319 0. 57839 0. 04773 0.22845 0.69247 0, 06390 0.28816 0.79969 3120

3130 0. 03341 0. 17134 0. 57428 0. 04715 0. 22624 0.68821 0- 06319 0.28561 0.79539 3130

3140 0. 03297 0. 16952 0. 57019 0. 04659 0. 22405 0. 68397 0. 06248 0.28308 0.791 11 3140

3150 0.03254 0. 16771 0. 56613 0. 04602 0.22188 0. 67975 0. 06178 0.28057 0.78684 31 50

3160 0. 03211 0. 16592 0. 56208 0. 04547 0. 21973 0.67554 0. 06109 0.27808 0.78258 3160

3170 0. 03169 0. 16415 0. 55806 0. 04492 0. 21761 0.67135 0- 06041 0.27561 0.77834 3170

3180 0. 03128 0. 16240 0. 55406 0.04438 0.21550 0.66717 0. 05974 0.27317 0.77411 3180

3190 0. 03087 0 . 16067 0. 55007 0. 04385 0. 21341 0.66302 0. 05907 0.27075 3190

3200 0. 03046 0 . 15895 0. 54611 0. 04332 0. 21134 0. 65888 0.05841 0. 26834 0.76569 3200

3210 0. 03006 0. 15725 0. 54217 0. 04280 0. 20929 0.65476 0. 05776 0.26596 0.76151 3210

3220 0. 02967 0. 15557 0. 53825 0. 04228 0. 20726 0.65065 0. 05711 0.26360 0.75733 3220

32 30 0. 02928 0. 1539 1 0. 53436 0.04177 0. 20525 0.64657 0.05647 0.26126 0.753 17 3230

3240 0. 02890 0. 15227 0. 53048 0. 041<i f 0. 20326 0.64250 0. 05584 0.25893 0. 74903 3240

3250 0.02852 0. 15064 0.52662 0. 04077 0. 20128 0.63845 0. 05522 0.25663 0. 74490 3250

3260 0. 02815 0. 14903 0. 52278 0. 04028 0. 19933 0.63441 0. 05460 0.25435 0.74078 3260

3270 0. 02778 0. 14743 0.51897 0. 03979 0. 19739 0.63039 0. 05399 0.25209 0.73667 3270

3280 0. 02742 0. 14585 0. 51517 0. 03932 0. 19547 0.62639 0. 05339 0. 24984 0. 73258 3280

3290 0.02706 0. 14429 0. 51140 0. 03884 0. 19357 0. 62241 0.05280 0.24762 0.72851 3290

3300 0. 02670 0. 14274 0.50765 0. 03838 0. 19169 0.61845 0. 05221 0. 24542 0 . 72445 3300

3310 0. 02635 0. 14121 0. 50391 0. 03791 0. 18982 0.61450 0. 05163 0.24323 0.72040 3310

3320 0. 02601 0. 13970 0. 50020 0. 03746 0. 18798 0.61057 0. 05105 0.24106 0.71637 3320

3330 0. 02567 0. 13820 0. 49651 0. 03701 0.18615 0.60666 0. 05048 0. 23890.71235 3330

3340 0. 02533 0. 13672 0. 49284 0. 03656 0. 18433 0.60276 0. 04992 0. 23678 0.70834 3340

3350 0. 02500 0.13525 0. 48919 0. 03612 0. 18254 0. 59888 0. 04936 0.23467 0. 70435 3350

3360 0. 02467 0. 13379 0. 48556 0. 03569 0. 18076 0.59502 0. 04881 0.23258 0.70038 3360

3370 0. 02435 0. 13236 0. 48195 0. 03526 0. 17899 0.59118 0. 04827 0.23050 0.69642 3370

3380 0. 02403 0. 13093 0. 47836 0. 03483 0. 17725 0. 58736 0. 04773 0.22845 0. 69247 3380

3390 0. 02372 0. 12953 0. 47479 0. 03442 0. 17552 0.58355 0. 04720 0. 2264

0.68854 3390

3400 0. 02341 0. 12813 0. 47124 0. 03400 0. 17381 0. 57976 0. 04667 0.22438 0.68462 3400

3410 0. 02310 0. 12675 0. 46772 0. 03359 0. 17211 0.57599 0. 04615 0.22238 0.68072 3410

3420 0. 02280 0. 12539 0. 46421 0. 03319 0. 17043 0.57223 0. 04564 0.22039 0.67683 3420

3430 0. 02250 0. 12404 0.46072 0. 03279 0. 16876 0. 56850 0. 04513 0. 21842 0.67296 3430

3440 0. 02221 0. 12270 0. 45726 0. 03240 0. 16711 0.56478 0. 04463 0.21647 0.66910 3440

3450 0. 02192 0. 12138 0. 45381 0. 03201 0. 16548 0. 56108 0. 04413 0.21453 0.66525 3450

3460 0. 02163 0. 12007 0. 45038 0. 03162 0. 16386 0.55739 0. 04364 0.21261 0.66142 3460

3470 0.02135 0. 11878 0. 44698 0.03124 0. 16226 0.55372 0. 04316 0.21071 0.65761 3470

3480 0. 02107 0. 11750 0. 44359 0. 03087 0. 16067 0. 55007 0. 04268 0.20882 0.65381 3480

3490 0. 02080 0. 11623 0. 44022 0. 03050 0. 15910 0. 54644 0. 04220 0.20695 0.65002 3490

3500 0.02052 0. 11497 0. 43688 0. 03013 0. 15754 0. 54283 0. 04173 0.20510 0.64625 3500

3510 0. 02026 0. 11373 0.43355 0. 02977 0. 15599 0.53923 0. 04127 0. 20326 0.64250 3510

3520 0.01999 0. 11250 0. 43024 0. 02941 0. 15446 0.53565 0. 04081 0.20143 0-63876 3520

3530 0. 01973 0. 11129 0. 42696 0. 02906 0. 15295 0.53209 0. 04035 0.19963 0.63503 3530

3540 0.01947 0. 11008 0. 42369 0. 02871 0. 15145 0.52855 0. 03991 0.19784 0.63132 3540

3550 0. 01922 0. 10889 0. 42044 0. 02836 0. 14996 0.52502 0. 03946 0. 19606 0.62762 3550

3560 0. 01897 0. 10772 0. 41721 0. 02802 0. 14849 0.52151 0. 03902 0.19430 0.62394 3560

3570 0. 01872 0. 10655 0. 41400 0. 02769 0. 14703 0.51802 0. 03859 0. 19256 0.62027 3570

3580 0. 01848 0. 10540 0. 41082 0. 02736 0. 14559 0.51454 0. 03816 0. 19083 0.61662 3580

3590 0. 01823 0. 10425 0. 40765 0. 02703 0. 14416 0.51109 0. 03774 0.18911 0.61299 3590

COP cm

V

-1

155
V

cm

-1

Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

-(F°-Eo)/T so C°

P

-(f°-e°)/t s° CO -(FO-Eo)/t COP cm

T=1100, T=1200. T=1300.

3600 0.01800 0.10312 0.40<»50

3610 0.01776 0.10201 0.40137

3620 0.01753 0.10090 0.39826

3630 0.01730 0.09981 0.39517

3640 0.01708 0.09872 0.39209

0.02670 0.14274 0.50765 0.03732 0.

0.02638 0.14134 0.50422 0.03690 0.

0.02607 0.13995 0.50082 0.03649 0.

0.02575 0.13857 0.49743 0.03609 0,

0.02544 0.13721 0.49406 0.03569 0.

18741 0.60936 3600

18573 0.60576 3610

18405 0.60216 3620

18240 0.59859 3630

18076 0.59502 3640

3650 0.01685 0.09765 0.38904

3660 0.01663 0.09659 0.38601

3670 0.01642 0.09554 0.38299

3680 0.01620 0.09450 0.37999

3690 0.01599 0.09348 0.37702

0.02514 0.13586 0.49071 0.03529 0.

0.02484 0.13452 0.48737 0.03490 0.

0.02454 0.13319 0.48405 0.03451 0.

0.02425 0.13188 0.48075 0.03413 0.

0.02396 0.13058 0.47747 0.03375 0.

17913 0.59148 3650

17752 0.58794 3660

17592 0.58443 3670

17433 0.58092 3680

17276 0.57744 3690

3700 0.01578 0.09246 0.37406

3710 0.01558 0.09146 0.37112

3720 0.01537 0.09046 0.36820

3730 0.01517 0.08948 0.36530

3740 0.01497 0.08850 0.36241

0.02367 0.12929 0.47420 0.03337 0.

0.02338 0.12802 0.47095 0.03300 0,

0.02310 0.12675 0.46772 0.03264 0.

0.02283 0.12550 0.46450 0.03228 0,

0.02255 0.12426 0.46130 0.03192 0.

17120 0.57396 3700

16966 0.57051 3710

16813 0.56706 3720

16661 0.56364 3730

16510 0.56022 3740

3750 0.01478 0.08754 0.35955

3760 0.01459 0.08658 0.35670

3770 0.01440 0.08564 0.35388

3780 0.01421 0.08471 0.35107

3790 0.01402 0.08378 0.34827

0.02228 0.12304 0.45812 0.03156 0.

0.02202 0.12182 0.45495 0.03121 0.

0.02175 0.12062 0.45181 0.03087 0.

0.02149 0.11942 0.44868 0.03053 0,

0.02123 0.11824 0.44556 0.03019 0.

16361 0.55683 3750

16213 0.55344 3760

16067 0.55007 3770

15922 0.54672 3780

15778 0.54338 3790

3800 0.01384 0.08287 0.34550

3810 0.01366 0.08196 0.34275

3820 0.01348 0.08107 0.34001

3830 0.01331 0.08018 0.33729

3840 0.01313 0.07931 0.33459

0.02098 0.11707 0.44246 0.02985 0

0.02073 0.11591 0.43938 0.02952 0

0.02048 0.11477 0.43632 0.02919 0

0.02023 0.11363 0.43327 0.02887 0

0.01999 0.11250 0.43024 0.02855 0

15635 0.54006 3800

15493 0.53675 3810

15353 0.53346 3820

15214 0.53018 3830

15076 0.52692 3840

3850 0.01296 0.07844 0.33191 0.01975 0.11139 0.42723 0.02823 0.14940 0.52367 3850

3860 0.01279 0.07758 0.32924 0.01952 0.11028 0.42423 0.02792 0.14804 0.52043 3860

3870 0.01263 0.07674 0.32660 0.01928 0.10919 0.42125 0.02761 0.14670 0.51721 3870

3880 0.01246 0.07590 0.32397 0.01905 0.10811 0.41829 0.02730 0.14537 0.51401 3880

3890 0.01230 0.07507 0.32135 0.01882 0.10703 0.41534 0.02700 0.14405 0.51082 3890

3900 0.01214 0.07424 0.31876 0.01860 0.10597 0.41241 0.02670 0.14274 0.50765 3900

3910 0.01198 0.07343 0.31618 0.01838 0.10492 0.40949 0.02641 0.14145 0.50449 3910

3920 0.01182 0.07263 0.31362 0.01816 0.10388 0.40660 0.02611 0.14016 0.50134 3920

3930 0.01167 0.07183 0.31108 0.01794 0.10284 0.40371 0.02583 0.13889 0.49821 3930

3940 0.01152 0.07104 0.30855 0.01772 0.10182 0.40085 0.02554 0.13763 0.49510 3940

3950 0.01137 0.07026 0.30605 0.01751 0.10081 0.39800 0.02526 0.13638 0.49200 3950

3960 0.01122 0.06949 0.30356 0.01730 0.09981 0.39517 0.02498 0.13513 0.48891 3960

3970 0.01107 0.06873 0.30108 0.01709 0.09881 0.39235 0.02470 0.13391 0.48584 3970

3980 0.01093 0.06798 0.29862 0.01689 0.09783 0.38955 0.02443 0.13269 0.48278 3980

3990 0.01079 0.06723 0.29618 0.01669 0.09686 0.38676 0.02416 0.13148 0.47974 3990

4000 0.01065 0.06649 0.29376 0.01649 0.09589 0.38399 0.02389 0.13028 0.47671 4000

156
Qm

-1

Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

-(FO-Eo)/T S° COP -(f°-e°)/t SO CO

P

-(FO-Eo)/t SO CO

P

V

-1 cm

T=1400. T=1500. T=1600.

100 4.62254 6. 50935 1.98542 4.75295 6. 64634 1.98565 4. 87533 6. 77449 1.98583 100

110 4. 44317 6. 32013 1.98505 4.57292 6. 45710 1.98533 4.69473 6. 58524 1.98555 110

120 4. 28028 6. 14743 1.98465 4.40937 6. 28437 1.98498 4. 53060 6. 41248 1.98524 120

130 4. 13121 5. 98859 1.98422 4.25965 6. 12550 1.98460 4. 38031 6. 25359 1.98491 130

140 3. 99392 5. 84156 1.98375 4.12171 5. 97844 1.98419 4. 24180 6. 10651 1.98455 140

150 3. 86678 5.70471 1.98324 3.99392 5. 84156 1.98375 4. 11344 5. 96960 1.98416 150

160 3. 74847 5. 57673 1.98270 3.87497 5. 71355 1.98327 3. 99392 5. 84156 1.98375 160

170 3. 63792 5. 45655 1.98212 3.76377 5. 59333 1.98277 3. 88216 5. 72131 1.98330 170

180 3. 53424 5. 34327 1.98151 3.65945 5. 48001 1.98224 3. 77728 5.60796 1.98284 180

190 3. 43669 5. 23616 1. 98087 3. 56126 5, 37285 1.98168 3.67853 5. 50077 1.98234 190

200 3. 34463 5. 13457 1.98019 3.46857 5. 27122 1.98109 3. 58527 5. 39910 1.98182 200

210 3. 25753 5. 03797 1.97947 3.38083 5. 17458 1.98046 3. 49698 5. 30242 1.98128 210

220 3. 17492 4.94590 1.97873 3.29759 5. 08246 1.97981 3. 41318 5. 21026 1.98070 220

230 3. 09641 4.85796 1.97794 3.21845 4. 99447 1.97913 3. 33348 5. 12223 1.98010 230

240 3. 02163 4. 77380 1. 97713 3. 14304 4. 91025 1.97842 3. 25753 5. 03797 1.97947 240

250 2. 95030 4. 69311 1.97627 3.07108 4. 82950 1.97767 3. 18502 4. 95718 1.97882 250

260 2. 88212 4. 61561 1.97539 3.00229 4. 75195 1.97690 3. 11567 4. 87958 1.97814 260

270 2. 81688 4. 54108 1.97447 2.93642 4. 67736 1.97610 3. 04926 4. 80494 1.97744 270

280 2. 75434 4. 46929 1.97351 2.87326 4. 60551 1.97527 2. 98555 4. 73304 1.97670 280

290 2. 69432 4.40005 1.97253 2.81262 4. 53621 1.97441 2. 92437 4. 66368 1.97595 290

300 2. 63665 4. 33320 1.97150 2.75434 4. 46929 1.97351 2. 86555 4. 59671 1.97516 300

310 2. 58117 4. 26857 1.97045 2.69825 4.40459 1.97259 2.80891 4. 53196 1.97435 310

320 2. 52774 4. 20603 1.96936 2.64421 4. 34198 1.97164 2. 75434 4. 46929 1.97351 320

330 2.47623 4. 14544 1.96823 2.59209 4.28132 1.97066 2.70169 4.40857 1.97265 330

340 2.42654 4, 08670 1.96707 2.54179 4. 22251 1.96965 2. 65085 4. 34970 1.97176 340

350 2. 37854 4. 02970 1.96588 2.49319 4. 16543 1.96861 2.60172 4. 29255 1.97085 350

360 2. 33215 3. 97434 1.96466 2.44621 4. 10999 1.96754 2. 55420 4. 23705 1.96991 360

370 2. 28728 3. 92052 1.96340 2.40073 4. 05609 1.96644 2.50820 4. 18308 1.96894 370

380 2. 24384 3. 86818 1.96211 2.35670 4. 00366 1.96531 2. 46364 4. 13059 1.96795 380

390 2. 20177 3. 81723 1.96078 2.31403 3. 95263 1.96416 2. 42045 4. 07948 1.96693 390

400 2. 16098 3. 76761 1.95942 2.27265 3. 90292 1.96297 2. 37854 4.02970 1.96588 400

410 2. 12141 3. 71924 1.95803 2.23249 3. 85446 1.96175 2.33787 3. 98117 1.96481 410

420 2. 08302 3. 67207 1.95660 2. 19351 3.80720 1.96051 2. 29836 3. 93384 1.96372 420

430 2. 04573 3. 62605 1.95514 2. 15563 3.76108 1.95924 2. 25997 3. 88764 1.96259 430

440 2. 00950 3. 58112 1.95365 2.11882 3.71606 1.95793 2. 22264 3.84254 1.96145 440

450 1. 97427 3. 53723 1.95213 2.08302 3.67207 1.95660 2. 18632 3. 79847 1.96027 450

460 I. 94002 3. 49434 1.95057 2.04818 3. 62908 1.95524 2. 15097 3. 75540 1.95908 460

470 1. 90668 3.45241 1.94898 2.01427 3.58705 1.95385 2. 11655 3. 71328 1.95785 470

480 1. 87423 3. 41139 1.94736 1.98124 3. 54593 1.95243 2. 08302 3. 67207 1.95660 480

490 1. 84262 3.37126 1.94570 1.94906 3. 50568 1.95099 2. 05033 3. 63174 1.95533 490

500 1. 81182 3. 33197 1.94402 1.91769 3.46628 1.94951 2. 01846 3. 59225 1.95403 500

510 1. 78180 3. 29349 1.94230 1.88711 3. 42769 1.94801 1. 98737 3. 55357 1.95270 510

520 1.75253 3. 25579 1.94054 1.85727 3. 38988 1.94648 1. 95703 3. 51567 1.95135 520

530 1. 72398 3. 21884 1.93876 1.82815 3. 35282 1.94492 1. 92741 3. 47851 1.94998 530

540 1. 69611 3. 18262 1.93694 1.79972 3.31648 1.94333 1. 89849 3. 44207 1.94858 540

550 1.66891 3. 14709 1.93510 1.77197 3. 28084 1.94172 1. 87023 3. 40633 1.94715 550

560 1. 64235 3. 11224 1.93322 1.74485 3. 24586 1.94007 1. 84262 3. 37126 1.94570 560

570 1.61641 3. 07804 1.93131 1.71835 3. 21154 1.93840 1. 81563 3. 33683 1.94423 570

580 1. 59106 3. 04447 1.92936 1.69245 3. 17784 1.93670 1. 78924 3. 30303 1.94273 580

590 1. 56628 3. 01151 1.92739 1.66712 3.14475 1.93497 1.76342 3. 26984 1.94120 590

157
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

I

V -(fo-eo)/t s° CO -(f°-e°)/t s° -(f°-e°)/t S° C° V

cm _ cm

T=1400. 'T=150&. T=1600.

600 1 .54206 2 .97913 1 .92538 1 .64235 3. 11224 1 .93322 1 .73817 3.23722 1 .93966 600

610 1 .51838 2 .94732 1 .92335 1 .61812 3.08030 1 .93143 1 .71345 3.20517 1 .93808 610

620 1.49521 2 .91606 1 .92128 1 .59441 3.04891 1 .92962 1 .68925 3. 17367 1 .93648 620

630 1 .47254 2 .88534 1 .91918 1 .57119 3.01305 1 .92779 1 .66556 3. 14270 1 .93486 630

640 1 .45035 2 . 85513 1 .91705 1 .54847 2.98771 1 .92592 1 .64235 3. 11224 I .93322 640

650 1 .42863 2 .82543 1 .91489 1 .52621 2.95786 1 .92403 1 .61962 3.08228 1 .93155 650

660 1 .40737 2 .79621 1 .91270 1 .50441 2.92850 1 .92211 1 .59734 3.05281 1 .92985 660

670 1 .38654 2 .76746 1 .91048 1 .48305 2. 89961 1 .92016 1 .57551 3.02380 1 .92813 670

680 1 .36614 2 .73917 1 .90823 1 .46212 2.87118 1 .91819 1 .55411 2.99525 1 .92639 680

690 1 .34615 2 .71133 1 . 90595 1.44161 2.84319 1 .91619 I .53312 2.96714 1 .92462 690

700 1 .32657 2 .68392 1 .90364 1 .42 149 2. 81563 1 .91417 1 .51254 2.93946 1 .92283 700

710 1 .30737 2.65694 1 .90130 1 .40177 2. 78850 1 .91211 1 .49235 2.91219 1 .92102 710

720 1 .28855 2 .63036 1 .89893 1 .38243 2.76177 1 .91003 1 .47254 2.88534 1 .91918 720

730 1 .27009 2 .60419 1 .89653 1 . 36345 2.73544 1 .90793 1 .45310 2.85888 1 .91732 730

740 1 .25199 2 .57840 1 .89410 1 .34484 2.70949 1 .90580 1 .43402 2.83281 1 .91544 740

750 1 .23424 2 .55299 1 .89164 1 . 32657 2.68392 1 .90364 1 .41529 2.80711 1 .91353 750

760 1 .21682 2 .52795 1 .88915 1 .30864 2.65872 1 .90146 1 .39690 2.78178 1 .91160 760

770 1 .19973 2 .50327 1 .88664 I .29104 2.63388 1 . 89925 1 .37884 2.75680 1 .90964 770

780 1 . 18296 2 .47895 1 .88409 1 .27375 2.60939 1 .89701 1 .36111 2.73217 1 .90766 780

790 1 . 16650 2 .45496 1 . 88 152 1 .25679 2. 58524 1 . 89475 1 -34368 2. 70788 1 .90566 790

800 1 . 15034 2 .43131 1 .87892 1 .24012 2.56142 1 .89246 1 .32657 2.68392 1 .90364 800

810 1 .13447 2 .40799 1 .87629 1 .22375 2.53792 1 .89015 1 .30975 2.66029 1 .90159 810

820 1 .11889 2 .38498 1 .87363 1 .20767 2.51475 1 .88782 1 .29322 2.63697 1 .89952 820

830 1 .10359 2 . 36229 1 .87094 1 . 19187 2.49188 1 .88545 1 .27697 2.61396 1 .89743 830

840 1 .08856 2 .33989 1 . 86822 1 . 17634 2. 46931 1 . 88307 1 .26100 2. 59125 1 .89532 840

850 1 .07380 2 .31780 1 .86548 1 .16108 2.44704 1 .88065 1 .24530 2.56883 1.89318 850

860 1 .05929 2 .29600 1 .86271 1 .14608 2.42506 1 .87822 1 .22985 2.54670 1 .89102 860

870 1 .04503 2 .27448 1 . 85991 1 . 13134 2.40336 1 .87576 1 .21467 2.52485 1 .88884 870

880 1 .03102 2 .25324 1 .85709 1 .11684 2.38194 1 .87327 1 .19973 2.50327 1 .88664 880

890 1 .01725 2 .23227 1 .85424 1 .10258 2. 36078 1 . 87076 1.18504 2.48197 1 .88441 890

900 1.00372 2 .21157 1 .85136 1 .08856 2.33989 1 .86822 1 . 17059 2.46093 1 .88216 900

910 0 .99041 2 . 19113 1 .84845 1 .07477 2.31927 1 .86567 1 . 15637 2.44014 1 .87990 910

920 0 .97733 2 .17094 1 .84552 1 .06121 2.29389 1 .86308 1 .14237 2.41961 1 .87760 920

930 0 .96446 2 . 15101 1 .84256 1 .04786 2.27876 1 .86048 1 .12860 2.39932 1 .87529 930

940 0 .95181 2 .13132 1 . 83958 1 .03474 2.25388 1 .85784 1 .11504 2. 37928 1 .87296 940

950 0 .93936 2 .11187 1 .83657 1 .02182 2.23923 1 .85519 1 .10170 2.35947 1 .87060 950

960 0 .92712 2 .09265 1 .83353 1 .00910 2.21982 1 .85251 1 .08856 2.33989 1 .86822 960

970 0 .91508 2 .07367 1 .83047 0 .99659 2.20064 1 .84981 1 .07563 2.32055 1 .86583 970

980 0 .90323 2.05491 1 .82738 0.98428 2. 18168 1 .84709 1 .06289 2.30142 1 .86341 980

990 0 .89157 2.03637 1 .82427 0.97215 2. 16294 1 .84434 1 .05035 2.28252 1 .86097 990

1000 0.88010 2 .01805 1 .82113 0.96022 2.14442 1.84157 1 .03800 2.26383 1 .85850 1000

1010 0 .86881 1.99995 1 .81797 0 .94847 2.12611 1 .83878 1 .02583 2.24535 1 .85602 1010

1020 0 .85770 1 .98205 1 .81478 0 .93690 2. 10800 1 .83596 1 .01385 2.22707 1 .85352 1020

1030 0 .84677 1 .96436 1 .81157 0 .92550 2.09011 1 .83312 1 .00204 2.20900 1 .85100 1030

1040 0 .83600 1 .94687 1 .80833 0 .91428 2.07241 1 .83026 0.99041 2.19113 1 .84845 1040

1050 0 .82540 1 .92958 1 .80507 0 .90323 2.05491 1 .82738 0 .97895 2. 17345 1 .84589 1050

1060 0 .81497 1 .91249 1 . 80178 0 .89235 2.03760 1 .82448 0 .96766 2.15597 1 .84330 1060

1070 0 .80469 1 .89559 1 .79847 0 .88162 2.02048 1 .82155 0 .95653 2-13867 1 .84070 1070

1080 0 .79458 1 .87887 i. .79514 0 .87106 2.00355 1 .81860 0.94556 2.12156 1 .83808 1080

1090 0 .78461 1 .86234 1 .79178 0 .86065 1.98680 1 .81563 0 .93475 2.10463 1 .83543 1090

158
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

Z/ ^0-(FO-Eo)/T so C° -(F°-E°)/T S° C° -(F°-Eo)/t S°

p

U p (J cm~

T=1400. T=1500. T=1600.

1 1 on 1 1 . 1 o o ^ w 0. fi5ni9 1L • 97024 1X . 81264 0. 92409 2 .08788 1 .8 3277 1 100

1 1 1 n n 7ft5 1 u 1 .82983 1X . 78500 0 . 84079 \ . 95 384 \ . 80963 0. 91359 2 .07131 1 .83008 . \J \J \J 1110

J. X ^ vy 0.75562 1 .81383 X .78157 0. 83033 \ .93 763 1 • 80659 0. 90323 2 .0549 I 1 .827 38 1 120

1130 0. 74624 1 .79801 1 . 77813 0.82051 \ .92158 1 . 80354 0. 89302 2 .03868 1 .82466 1 130

llAO 0.73700 1 .78236 I .77465 0.81084 1 .90571 1 .80046 0.88295 2 .02261 1 .82192 1140

1150 0. 72790 1 .76688 1 .77116 0.80130 1 . 89000 1 .79736 0. 87303 2 .00671 1 .81916 1150

1160 0.71893 I .75156 1 . 76765 0.79190 1 . 87445 1 .79425 0, 86324 1 .99097 1 .81638 1160

1170 0. 71009 1 .73640 1 .76411 0.78264 1 . 85906 1 .79111 0. 85358 1 .97539 1 .81358 1 170

1180 0.70138 1 .72140 1 . 76055 0.77350 1 . 84383 1 .78795 0. 84406 1 .95997 1 .81076 1180

1190 0.69280 1 .70656 1 .75697 0.76450 1 .82875 1 .78477 0. 83467 1 .94470 1 .80792 1190

1200 0.68435 1 .69187 1 . 75336 0.75562 I .81383 1 .78157 0. 82540 1 .92958 1 .80507 1200

1210 0.67601 1.67733 I .74974 0.74686 1 .79906 1 .77836 0. 81626 1 .91462 1 .80219 1210

1220 0.66779 1 .66295 1 .74610 0.73822 1 .78444 1 .77512 0. 80725 1 .89980 1 .79930 1220

1230 0.65970 I .64871 I . 74243 0.72971 1 .76996 1 .77186 0. 79835 1 .88512 1 .79639 1230

1240 0.65171 1 .63461 1 .73874 0.72131 1 .75563 1 .76859 0. 78958 1 .87059 1 .79346 1240

1250 0.64384 1 .62066 1 .73504 0.71302 1 .74143 1 . 76529 0. 78092 1 .85619 1 .79052 1250

1260 0. 63608 1 .60685 1 .73131 0. 70485 1 .72738 1 .76197 0. 77237 1 .84194 1 .78756 1260

1270 0.62843 1 .59318 1 . 72756 0.69679 1 .71346 1 . 75864 0. 76394 1 .82782 1 .78457 1270

1280 0.62089 1 .57965 I . 72380 0.68884 1 .69968 1 . 75529 0. 75562 1 .81383 1 .78157 1280

1290 0.61345 1 .56625 1 .72001 0.68100 1 .68604 1 .75192 0. 74740 1 .79998 1 .77856 1290

1300 0.60612 1 .55298 1J. , 71621 0.67326 1.67252 \ . 74853 0. 73930 1 .78626 1 .77552 1300

1310 0 . 59888 1 .53984 \ .71238 0-66562 1 .65914 \ . 745 10. 73129 1 .77266 1 .77247 1310

1320 0.59175 1 .52684 \ . 70854 0. 65809 1 .64588 \ . 741 69 0. 72340 1 .75920 1 .76941 1320

1330 0 . 5847

1 .51396 \ . 70467 0. 65066 1 .63275 \ .73825 0. 71560 1 .74585 1 .76632 1330

1340 0.57778 1 .50120 1 .70079 0.64332 1 .61974 1 .73479 0. 70790 1 .73263 1 .76322 1340

1350 0.57093 1 .48857 1 . 69689 0. 63608 1.60685 1 .73131 0. 70031 1 .71954 1 .76010 1350

1360 0. 56418 1.47606 1 . 69297 0.62894 1 .59409 1 .72781 0. 69280 1 .70656 1 .75697 1360

1370 0.55752 1 .46367 1 .68904 0.62189 1 .58144 \ . 72430 0. 68540 1 .69370 1 .75382 1370

1380 0 . 55095 1 .45140 1. .68509 0.61493 1 .56892 \ . 72077 0.67808 1 .68095 1 .75065 1380

1390 0.54447 1 .43925 1 .68111 0.60806 1 .55650 1 .71722 0. 67086 1 .66833 1 .74747 1390

1400 0.53808 1.42721 1 .67713 0.60128 1 .54421 \ .71366 0. 66373 1 .65581 1.74427 1400

1410 0. 53177 1 .41529 1 . 67312 0. 59459 1 .53202 \ .71008 0. 65669 1.64341 1 .74105 1410

n 'i?554 1.40348 1X . O D 7 X U nW .. ^J AO 799 1 7 7 1 .51995 X . 1 VJ U " u 0. 64973 1 .63111 1 .73782 1X 470 ^ w 1430 0. 51940 1 .39178 1X . 66506 0 • 58 1 46 1 .50799 1X . f <-/ c. O 01 0. 64287 1 .61893 1 .73457 14^0

1440 0.51334 1 .38019 1 .66100 0.57503 1 .49613 1 .69923 0. 63608 1 .60685 1.73131 1440

1 .36871 1X • O ^ O 7 -7 n RARA7 1 .48439 1 • O 7 J J 7 0. 62938 1 .59488 1 .72803

1 .35734 1X • O !J t Ot n ^A?An 1 .47275 1 AO 1 Q 0. 62277 1.58302 1 .72474 1

J. AAfl HOU

1 .34607 1X

iL A Q 7 A

1 .46121 11 • O O o ^ 19 0. 61623 1 .57126 1 .72143 1 A 7n

1 .33491 1 AAA. A 9 U • IJ 3 u u o 1 .44978 i . AO AO AH

C\

-> AO 0. 60977 1 .55960 1 .71811 1 A nn

1 .32385 1X • 0*T VJ*T O I .43844 1i « O o U O 3 0. 60339 1 .54804 1 .71477 1 Aon

1500 0.47862 1 .31289 1 .63633 0.53808 1 .42721 1 .67713 0. 59709 1 .53658 1 .71142 1500

1510 0.47309 1 . 30203 I .63216 0.53219 1 .41608 1 .67339 0. 59087 1 .52522 1 .70805 1510

1520 0.46764 1 .29127 1 .62798 0.52637 1 .40505 1 .66963 0. 58471 1 .51396 1 .70467 1520

1530 0.46226 1 .28061 1 .62379 0.52062 1 .39411 1 .66587 0. 57864 1 .50279 1 .70128 1530

1540 0.45694 1 .27004 1 .61957 0.51495 1 .38327 1 .66208 0. 57263 1.49172 1 .69787 1540

1550 0.45170 1 .25957 I .61535 0.50935 1 .37253 1 .65829 0. 56670 1 .48074 1 .69445 1550

1560 0.44652 1 .24920 1 .61111 0.50381 1 .36188 1 .65448 0. 56084 I .46985 1 .69101 1560

1570 0.44141 1 .23892 1 .60686 0.49835 1 .35132 1 .65065 0. 55505 I .45906 1 .68756 1570

1580 0.43636 1 .22873 1 .60259 0.49295 1 .34085 1 .64681 0. 54932 1 .44835 1 .68409 1580

1590 0.43138 1 .21863 1 .59831 0.48761 1 .33047 1 .64296 0. 54367 1 .43774 1 .68062 1590

c°

p -1 cm

159
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

V -(f°-eo)/t s° c° -(f°-e°)/t s° eg -(f°-e°)/t S° 0° V

cm cm

T=1400. T«1500. T=1600.

1600 0.42646 1. 20862 1 .59402 0.48234 1.32018

1610 0.42160 1. 19870 1.58971 0.47714 1.30998

1620 0.41680 1. 18887 1 .58540 0.47200 1.29987

1630 0.41207 1. 17913 1 .58106 0.46692 1.28984

lOHU f\ A r\ "7 1 o 0.40 / 39 1. 16947 1 .57672 0.46190 1 . 27990

1650 0.40277 1. 15990 1 .57236 0.45694 1.27004

1660 0.39821 1. 15042 1 .56800 0.45204 1.26027

1670 0.39371 1. 14101 1.56362 0.44720 1.25058

1680 0.38926 1. 13169 1 .55922 0.44242 1.24097

lo"»U f\ ^ fl A O 7 1. 12245 1 .55482 0. 43 f 10 1 . Z3 144

1700 0.38053 1. 11329 1 .55041 0.43303 1.22199

1710 0.37625 1. 10421 1 .54598 0.42842 1.21262

1720 0.37202 1.09521 1 .54155 0.42386 1.20332

1730 0.36784 1. 08628 1 .53710 0.41935 1. 19411

0.363 H 1. 07744 1 .53264 0. 41490 1 1 O A rt T

1 . 18497

1750 0.35964 1. 06867 1 .52818 0.41050 1. 17590

1760 0.35561 1. 05997 1 .52370 0.40615 1.16691

1770 0.35163 1.05135 1 .51921 0.40186 1.15800

1780 0.34770 1. 04281 1 .51472 0.39761 1.14916

1 790 0 . 34382 1.03433 1 .51021 0. 39341 1 . 14039

1800 0.33999 1. 02593 1 .50570 0.38926 1. 13169

1610 0.33620 1. 01760 1 .50117 0.38516 1.12306

1820 0.33246 1. 00934 1 .49664 0.38111 1.11451

1830 0.32876 1.00115 1 .49210 0.37710 1.10602

0. 325 1

0. 99304 1 .48755 0. 37314 1 . 09 760

1850 0.32150 0. 98499 1.48299 0.36923 1.08925

1860 0.31794 0. 97700 1 .47843 0.36536 1.08097

1870 0, 31441 0. 96909 1.47385 0.36153 1.07275

1880 0.31093 0. 96124 1 .46927 0.35775 1.06460

1890 0.30750 0. 95346 1 .46468 0.35401 1 . 0565

1900 0.30410 0. 94574 1.46009 0.35032 1.04849

1910 0.30074 0.93809 1 .45549 0.34666 1.04054

1920 0.29742 0. 93050 1 .45088 0.34305 1.03265

1930 0.29415 0.92297 1 .44626 0.33948 1.02482

1940 0.29091 0. 91551 1 .44164 0. 33595 1 . 01705

1950 0.28771 0. 90811 1 .43701 0.33246 1.00934

1960 0.28454 0. 90077 1 .43238 0.32901 1.00170

1970 0.28142 0. 89350 I .42774 0.32559 0.99411

1980 0.27833 0. 88628 1 .42309 0.32222 0.98659

1990 0.27528 0. 87912 1 .41844 0.31888 0.97913

2000 0.27226 0. 87202 1 .41378 0.31558 0.97172

2010 0.26928 0. 86498 1.40912 0.31232 0.96437

2020 0.26633 0. 85800 1 .40446 0.30909 0.95708

2030 0.26342 0. 85108 1 .39979 0.30590 0.94985

2040 0.26054 0. 84421 1 .39511 0.30275 0.94267

2050 0.25770 0. 83740 1 .39043 0.29963 0.93555

2060 0.25489 0. 83064 1 .38575 0.29655 0.92849

2070 0.25211 0. 82395 1 .38106 0.29350 0.92148

2080 0.24936 0. 81730 1 .37637 0.29048 0.91452

2090 0.24665 0. 81071 1 .37167 0.28749 0.90762

160

1. 63910 0. 53808 1.42721 1.67713 1600

1. 63522 0. 53255 1.41678 1.67362 1610

1. 63133 0.52709 1.40642 1.67010 1620

1. 62742 0.52170 1.39616 1.66657 1630

1. 62350 0. 51636 1.38597 1.66303 1640

1. 61957 0. 51109 1.37588 1.65948 1650

1. 61563 0. 50588 1.36586 1.65591 1660

1. 61168 0. 50073 1.35592 1.65233 1670

1. 60771 0. 49564 1.34607 1.64874 1680

1. 60373 0. 49060 1.33630 1.64513 1690

1.59974 0.48563 1 .32660 1.64151 1700

1.59574 0.48071 1 .31698 1 .63789 1710

1.59173 0.47585 1 .30744 1 .63425 1720

1.58770 0.47104 1 .29798 1.63060 1730

1 . 58366 0.46629 1 .28859 1 .62693 1740

1.57962 0.46159 1 .27928 1 .62326 1750

1.57556 0.45694 1 .27004 1 .61957 1760

1.57149 0.45235 1 .26088 1 .61588 1770

1.56741 0.44781 1 .25178 1 .61217 1780

1.56332 0.44332 1 .24276 1 .60846 1790

1.55922 0.43887 1 .23381 1 .60473 1800

1.55512 0.43448 1.22493 1 .60099 1810

1.55100 0.43014 1 .21612 1.59724 1820

1.54687 0.42584 1 .20738 1 .59348 1830

1.54273 0.42160 1 . 19870 1 .58971 1840

1.53858 0.41740 1 . 19010 1 .58594 1850

1.53443 0.41324 1 .18156 1 .58215 1860

1.53026 0.40914 1 .17309 1 .57835 1870

1.52609 0.40507 1 . 16468 1 .57454 1880

1.52191 0.40106 1 .15634 1 .57073 1890

1.51772 0.39708 1 . 14806 1 .56690 1900

1.51352 0.39315 1 .13984 1 .56307 1910

1.50931 0.38926 1 .13169 1 .55922 1920

1.50509 0.38542 1 .12360 1 .55537 1930

1.50087 0.38161 1 .11557 1 .55151 1940

1.49664 0.37785 1 . 10760 1 .54764 1950

1.49240 0.37413 1 .09970 1 .54377 1960

1.48816 0.37045 1 .09185 1 .53988 1970

1.48390 0.36680 1 .08406 1 .53599 1980

1.47965 0.36320 1 .07634 1 .53209 1990

1.47538 0.35964 1 .06867 1 .52818 2000

1.47111 0.35611 1 .06105 1 .52426 2010

1.46683 0.35262 1 .05350 1 .52034 2020

1.46254 0.34917 1 .04600 1 .51640 2030

1.45825 0.34576 1 .03856 1 .51247 2040

1.45395 0.34238 1 .031/17 1 .50852 2050

1.44965 0.33904 1 .02384 1 .50457 2060

1.44534 0.33573 1 .01657 1 .50061 2070

1.44102 0.33246 1 .00934 1 .49664 2080

1.43670 0.32922 1 .00217 1.49267 2090

I
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

y -(F°-Eo)/T S° 0° -(F°-Eg)/T S° C° -(F°-E°)/T S°

-1 ^

^ cm

T=1400. T=1500. T=1600.

2100 0. 24396 0. 80417 I . 36698 0. 28454 0. 90077 1 .43238 0. 32602 0. 99506 1 .48869 2100

2110 0, 24131 0. 79769 1 . 36227 0. 28163 0. 89398 1.42805 0. 32285 0. 98800 1 .48470 2110

2120 0. 23869 0. 79126 1 . 35757 0. 27874 0. 88724 1 .42371 0.31971 0. 98099 1 .48071 2120

2130 0. 23610 0. 78488 1 . 35286 0. 27589 0. 88055 1 .41937 0. 31661 0. 97403 1 .47671 2130

21A0 0. 23354 0. 77856 1 .34815 0. 27306 0.87391 1 .41503 0. 31354 0. 96712 1 .47271 2140

2150 0. 23101 0.77228 1 .34344 0. 27027 0. 86732 1 .41068 0. 31050 0. 96026 1 .46870 2150

2160 0. 22850 0.76606 1 .33872 0. 26751 0. 86079 1 .40632 0. 30750 0. 95346 1 .46468 2160

2170 0. 22603 0. 75989 1 . 33401 0. 26478 0. 85430 1 .40197 0. 30452 0. 94670 1 .46066 2170

2180 0.22358 0. 75377 I . 32929 0. 26207 0. 84787 1 .39761 0. 30158 0. 93999 1 .45664 2180

2190 0.22116 0. 74769 1 .32457 0. 25940 0.84148 1 .39324 0. 29866 0. 93334 1 .45261 2190

2200 0. 21877 0. 74167 1 .31985 0.25676 0.83514 1 .38887 0. 29578 0. 92673 1 .44857 2200

2210 0. 21641 0. 73569 1 .31512 0. 25414 0. 82885 1 . 38450 0. 29293 0. 92017 1 .44453 2210

2220 0. 21407 0. 72977 1 .31040 0. 25156 0.82261 1 .38012 0. 29010 0. 91366 1 .44048 2220

2230 0. 21176 0. 72389 1 .30567 0. 24900 0.81642 1 . 37574 0.28731 0. 90719 1 .43643 2230

0. 20948 0.71806 1 .30095 0. 24647 0.81027 1 .37136 0. 28454 0. 90077 1 .43238 2240

2250 0. 20722 0. 71227 1 . 29622 0. 24396 0. 80417 1 .36698 0. 28181 0. 89440 1.42832 2250

2260 0. 20499 0.70654 1 .29149 0. 24149 0.79812 1 .36259 0. 27910 0. 88808 1.42425 2260

2270 0. 20278 0. 70084 1 .28676 0.23904 0.79212 1 .35820 0. 27642 0. 88180 I .42019 2270

2280 0. 20060 0. 69520 1 .28203 0. 23662 0.78616 1 . 35380 0. 27376 0. 87556 1 .41611 2280

2290 0. 19845 0. 68960 1 .27730 0.23422 0.78024 I . 34941 0.27114 0. 86938 1 .41204 2290

2300 0. 19631 0.68404 1 .27257 0. 23185 0.77437 1 .34501 0. 26854 0. 86323 1 .40796 2300

2310 0. 19420 0. 67853 1 .26785 0. 22950 0. 76854 1 . 34061 0. 26597 0. 85713 1 .40387 2310

2320 0. 19212 0. 67307 1 .26312 0. 22718 0.76276 1 .33621 0. 26342 0.85108 1 .39979 2320

2330 0. 19006 0. 66764 1 .25839 0. 22488 0. 75703 1 .33181 0.26090 0. 84507 1 .39570 2330

2340 0. 18802 0. 66226 1 .25366 0. 22261 0.75133 I . 32740 0. 25841 0. 83910 1 .39160 2340

2350 0. 18601 0. 65693 1 .24894 0. 22036 0. 74568 1 .32299 0. 25594 0. 83317 1 .38750 2350

2360 0. 18401 0. 65163 1 .24421 0.21814 0.74007 1 .31859 0. 25349 0. 82729 1 .38340 2360

2370 0. 18204 0. 64638 1.23949 0.21594 0.73451 1 .31418 0. 25108 0. 82145 1 .37930 2370

2380 0. 18009 0.64117 1 .23477 0. 21376 0. 72898 1 .30977 0. 24868 0. 81565 1.37520 2380

2390 0. 17817 0. 63601 1 .23005 0. 21161 0.72350 1 . 30536 0. 24631 0. 80989 1 .37109 2390

2400 0. 17626 0. 63088 1 .22533 0. 20948 0. 71806 1 . 30094 0. 24396 0. 80417 1 .36698 2400

2410 0. 17438 0. 62580 1 .22061 0. 20737 0.71266 I .29653 0. 24164 0. 79850 1 .36286 2410

2420 0. 17252 0. 62075 1 .21590 0. 20529 0. 70730 1 .29212 0. 23934 0. 79286 1 .35875 2420

2430 0. 17067 0. 61575 1 .21118 0. 20322 0.70198 1 .28771 0. 23707 0. 78727 1 .35463 2430

2440 0. 16885 0. 61078 1 .20647 0. 20118 0.69670 1 .28329 0. 23482 0. 78172 1 .35051 2440

2450 0. 16705 0. 60586 1 .20177 0. 19916 0.69146 1 .27888 0. 23258 0. 77620 1 .34638 2450

2460 0. 16527 0. 60097 1 .19706 0. 19716 0.68626 1 .27447 0. 23038 0- 77072 1 .34226 2460

2470 0. 16351 0. 59613 1 . 19236 0. 19519 0.68110 1 .27005 0. 22819 0. 76529 1 .33814 2470

2480 0. 16177 0. 59132 1 .18766 0. 19323 0.67598 1 .26564 0. 22603 0. 75989 1 .33401 2480

2490 0. 16005 0.58655 1 .18296 0. 19129 0.67089 1 .26123 0. 22389 0. 75453 1 .32988 2490

2500 0. 15834 0. 58182 1 .17827 0. 18938 0.66585 1 .25682 0. 22177 0. 74921 1 .32575 2500

2510 0. 15666 0. 57712 1 .17358 0. 18748 0.66084 1 .25240 0. 21967 0. 74392 1 .32162 2510

2520 0. 15499 0. 57246 1 . 16889 0. 18560 0.65587 1 .24799 0. 21759 0. 73868 1 .31748 2520

2530 0. 15334 0. 56784 1 . 16421 0.18375 0.65093 1 .24358 0. 21553 0.73347 1 .31335 2530

2540 0. 15171 0. 56326 1 .15953 0. 18191 0.64604 1 .23918 0. 21349 0. 72829 1 .30922 2540

2550 0. 15010 0.55871 1 .15485 0. 18009 0.64117 1 .23477 0. 21148 0. 72316 1 .30508 2550

2560 0. 14851 0.55420 1 . 15018 0. 17830 0.63635 1 .23036 0. 20948 0. 71806 1 .30094 2560

2570 0. 14693 0. 54973 1 .14552 0. 17652 0.63156 1 .22596 0. 20750 0. 71299 1 .29681 2570

2580 0. 14538 0.54529 1 . 14085 0.17475 0.62681 1.22156 0. 20555 0. 70797 1 .29267 2580

2590 0. 14383 0. 54088 1 .13619 0. 17301 0.62209 1 .21715 0. 20361 0. 70297 1 .28853 2590

c°

p -1 cm

161
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

V -(f°-e°)/t s° c° -(fo-e°)/t so c° -(f°-eo)/t s° cm

T = 1400. T= 1500. T= 1600.

2600 0. 14231 0. 53651 1 .13154 0.17129 0. 61741 1. 21276 0. 20169 0. 69802 1 .28440 2600

2610 0. 14080 0. 53218 1 . 12689 0. 16958 0. 61276 1. 20836 0. 19979 0. 69309 I .28026 2610

2620 0. 13931 0 . 52788 1 .12225 0. 16789 0. 60815 1. 20396 0. 19791 0. 6882 1 1 .27612 2620

2630 0. 13784 0. 52361 1 .11761 0. 16622 0. 60357 1. 19957 0. 19605 0. 68335 1 .27198 2630

2640 0. 13638 0. 51938 1 . 11297 0. 16456 0. 59903 1. 19518 0. 19420 0. 67853 1 .26785 2640

2650 0. 13493 0. 51518 1 .10834 0. 16293 0. 59452 1. 19079 0. 19238 0. 67375 1 .26371 2650

2660 0. 13351 0. 51102 1 . 10372 0. 16131 0. 59004 1. 18641 0. 19057 0. 66899 1 .25957 2660

2670 0. 13210 0. 50688 1 .09910 0.15970 0. 58560 1. 18202 0. 18878 0. 66428 1 .25544 2670

2680 0. 13070 0. 50278 1 .09449 0.15812 0.58119 1. 17764 0. 18701 0. 65959 1 .25130 2680

2690 0. 12932 0. 49871 I .08988 0.15655 0. 57681 I. 17327 0. 18526 0. 65494 1 .24717 2690

2700 0.12795 0. 49468 1 .08528 0. 15499 0.57246 1. 16889 0. 18352 0. 65032 1 .24303 2700

2710 0. 12660 0. 49068 1 .08069 0. 15345 0. 56815 1. 16452 0. 18180 0. 64.573 1 .23890 2710

2720 0. 12527 0. 48670 1 .07610 0.15193 0.56387 1. 16015 0. 18009 0. 64117 1 .23477 2720

2730 0. 12394 0. 48276 1 .07151 0.15042 0. 55962 I. 15579 0. 17841 0. 63665 1 .23064 2730

2740 0. 12264 0. 47885 1 .06694 0. 14893 0. 55540 1. 15143 0. 17674 0- 63216 1 .22651 2740

c°

p

V

cm

2750 0. 12134 0.47498 1 .06237 0.14746 0. 55122 1. 14707 0. 17508 0. 62770 1.22238 2750

2760 0. 12007 0.47113 1 .05781 0. 14600 0.54706 1. 14272 0. 17345 0. 62327 1.21825 2760

2110 0. 11880 0.46731 1 .05325 0. 14455 0. 54294 1. 13837 0. 17182 0. 61887 1.21413 2770

2180 0. 11755 0.46352 1 .04870 0. 14312 0. 53884 1. 13402 0. 17022 0. 61450 1.21001 2780

2790 0. 11631 0.45977 1 .04416 0. 14170 0.53478 1. 12968 0. 16863 0. 61017 1.20589 2790

2800 0. 11509 0.45604 1 .03962 0. 14030 0. 53074 1. 12534 0. 16705 0. 60586 1.20177 2800

2810 0. 11388 0.45234 1 .03509 0. 13892 0. 52674 1. 12101 0. 16549 0. 60158 1. 19765 2810

2820 0. 11268 0.44867 1 .03057 0. 13754 0. 52276 1. 11668 0. 16395 0. 59733 1.19353 2820

2830 0. 11149 0.44503 1 .02605 0. 13618 0. 51882 1. 11236 0. 16242 0. 59312 1. 18942 2830

2840 0. 11032 0.44142 1 .02155 0. 13484 0. 51490 1. 10804 0. 16090 0. 58893 1.18531 2840

2850 0.10916 0.43784 1.01705 0. 13351 0.51102 1 . 10372 0. 15940 0.58477 I . 18120 2850

2860 0. 10801 0.43428 1.01256 0. 13219 0.50716 1 .09941 0. 15792 0.58064 1 .17710 2860

2870 0.10688 0.43076 1.00807 0. 13088 0. 50333 1 .09510 0. 15645 0.57654 1 .17299 2870

2880 0.10576 0.42726 1.00360 0. 12959 0.49953 1 .09080 0. 15499 0.57246 1 . 16889 2880

2890 0. 10465 0.42379 0.99913 0.12832 0.49575 1 .08651 0. 15355 0.56842 1 . 16479 2890

2900 0.10355 0.42034 0.99467 0. 12705 0.49201 1 .08222 0. 15212 0.56440 1 .16070 2900

2910 0. 10246 0.41693 0.99021 0. 12580 0.48829 1 .07793 0. 15071 0.56041 1 .15661 2910

2920 0. 10139 0.41354 0.98577 0. 12456 0.48460 1 .07365 0. 14930 0.55645 1 .15252 2920

2930 0.10032 0.41017 0.98134 0. 12333 0.48093 I .06938 0. 14792 0.55252 1 . 14843 2930

2940 0.09927 0.40684 0.97691 0.12212 0.47730 1 .06511 0. 14654 0.54861 1 .14435 2940

2950 0.09823 0.40353 0.97249 0.12092 0.47369 1 .06085 0. 14518 0.54474 1 .14027 2950

2960 0.09720 0.40024 0.96808 0.11973 0.47011 1 .05659 0. 14383 0.54088 1 .13619 2960

2970 0.09618 0.39699 0.96368 0. 11855 0.46655 1.05234 0. 14250 0. 53706 1 .13212 2970

2980 0.09518 0.39376 0.95929 0. 11738 0.46302 1 .04809 0. 14118 0.53326 1 .12805 2980

2990 0.09418 0.39055 0.95490 0. 11623 0.45952 1 .04385 0. 13987 0.52949 1 .12399 2990

3000 0.09319 0.38737 0.95053 0. 11509 0.45604 1 .03962 0. 13857 0.52574 1 .11993 3000

3010 0.09222 0.38421 0.94616 0. 11396 0.45258 1 .03539 0. 13729 0.52202 1 .11587 3010

3020 0.09125 0.38108 0.94181 0.11284 0.44916 1 .03117 0. 13601 0.51833 1 .11182 3020

3030 0.09030 0.37797 0.93746 0. 11173 0.44576 1 .02696 0. 13475 0.51466 1 .10777 3030

3040 0.08935 0.37489 0.93312 0. 11063 0.44238 1 .02275 0. 13351 0.51102 1 .10372 3040

3050 0.08842 0.37184 0.92879 0. 10955 0.43903 1 .01855 0. 13227 0.50740 1 .09968 3050

3060 0.08750 0.36880 0.92448 0.10847 0.43570 1 .01435 0. 13105 0.50380 1 .09564 3060

3070 0.08658 0.36579 0.92017 0.10741 0.43240 1 .01016 0. 12983 0.50024 1 .09161 3070

3080 0.08568 0.36281 0.91587 0. 10635 0.42912 1 .00598 0. 12863 0.49669 1 .08758 3080

3090 0.08478 0.35985 0.91158 0. 10531 0.42586 1 .00181 0. 12744 0.49317 1 .08356 3090

162
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

1/-1 cm

-{,F°-E°)/T S° c°

p

-(F°-Egj/T S° C°

P

-(f°-e°)/t s° C°P V

-1 cm

T— 1 n A 1 — 1 DUU. T — 1 Ann

3100 0.08390 0.35691 0. 90730 0.10428 0.42263 0.99764 0. 12627 0. 48968 1 .07954 3100

3110 0.08302 0.35399 0. 90303 0. 10326 0.41943 0.99348 0. 12510 0. 48621 1 .07552 3110

3120 0.08215 0.35110 0. 89877 0. 10225 0.41625 0.98933 0. 12394 0. 48276 1 .07151 3120

3130 0.08130 0.34823 0. 89452 0.10124 0.41309 0.98518 0. 12280 0. 47934 1 .06751 3130

3140 0.08045 0.34538 0. 89028 0.10025 0.40995 0.98104 0. 12167 0. 47594 1 .06351 3140

3150 0.07961 0.34256 0. 88605 0.09927 0.40684 0. 97691 0. 12054 0. 47257 1.05952 3150

3160 0.07878 0.33976 0. 88183 0.09830 0.40375 0. 97278 0. 11943 0. 46921 1.05553 3160

3170 0.07796 0.33698 0.87762 0.09734 0.40068 0.96867 0. 11833 0. 46589 1.05154 3170

3180 0.07714 0.33422 0.87342 0.09639 0.39764 0. 96456 0. 11724 0. 46258 1.04756 3180

3190 0.07634 0.33149 0.86923 0.09544 0.39461 0. 96046 0. 11616 0.45930 1.04359 3190

3200 0.07555 0.32877 0. 86505 0.09451 0.39161 0.95636 0. 11509 0.45604 1.03962 3200

3210 0.07476 0.32608 0. 86088 0.09359 0. 38864 0. 95228 0. 11403 0.45280 1.03566 3210

3220 0.07398 0.32341 0.85673 0.09267 0.38568 0. 94820 0. 11298 0. 44958 1.03170 3220

3230 0.07321 0.32076 0. 85258 0.09177 0.38275 0. 94413 0. 11194 0. 44639 1.02775 3230

3240 0.07245 0.31813 0.84845 0.09087 0.37984 0. 94007 0. 11090 0. 44322 1.02380 3240

3250 0.07169 0.31552 0. 84432 0.08998 0.37694 0. 93601 0. 10988 0. 44007 1.01986 3250

3260 0.07095 0.31293 0. 84021 0.08910 0. 37408 0. 93197 0. 10887 0. 43694 1.01592 3260

3270 0.07021 0.31037 0. 83611 0.08823 0.37123 0. 92793 0. 10787 0. 43384 1.01199 3270

3280 0.06948 0.30782 0. 83202 0.08737 0.36840 0. 92390 0. 10688 0. 43076 1.00807 3280

3290 0.06875 0.30529 0. 82793 0.08652 0.36559 0. 91988 0. 10590 0.42769 1.00415 3290

3300 0.06804 0.30279 0. 82387 0.08568 0.36281 0. 91587 0. 10492 0.42465 1.00024 3300

3310 0.06733 0.30030 0. 81981 0.08484 0.36004 0.91 186 0. 10396 0. 42163 0.99634 3310

3320 0.06663 0.29783 0. 81576 0.08401 0.35730 0. 90787 0. 10300 0. 41863 0.99244 3320

3330 0.06594 0.29539 0. 81172 0.08320 0.35457 0. 90388 0. 10206 0. 41565 0.98855 3330

3340 0.06525 0.29296 0. 80770 0.08238 0.35187 0. 89990 0.10112 0. 41269 0.98466 3340

3350 0.06458 0.29055 0. 80369 0.08158 0.34918 0. 89593 0. 10019 0. 40976 0.98078 3350

3360 0.06390 0.28816 0. 79969 0.08079 0.34652 0. 89197 0. 09927 0. 40684 0.97691 3360

3370 0.06324 0.28579 0. 79570 0.08000 0.34388 0. 88802 0. 09836 0. 40394 0.97304 3370

3380 0.06258 0.28344 0. 79172 0.07922 0.34125 0. 88408 0. 09746 0. 40106 0.96918 3380

3390 0.06193 0.28110 0. 78775 0.07845 0.33864 0. 88014 0. 09656 0. 39821 0.96533 3390

3400 0. 06129 0. 27879 0.78380 0. 07769 0.33606 0. 87622 0. 09568 0. 39537 0. 96148 3400

3410 0. 06065 0. 27649 0. 77985 0. 07693 0.33349 0. 87230 0. 09480 0. 39255 0.95764 3410

3420 0. 06002 0. 27422 0. 77592 0. 07618 0. 33094 0. 86839 0. 09393 0. 38975 0. 95381 3420

3430 0. 05940 0. 27196 0. 77200 0. 07544 0.32841 0. 86450 0.09307 0. 38697 0.94998 3430

3440 0.05878 0. 26971 0. 76809 0. 07471 0.32590 0. 86061 0. 09222 0. 38421 0. 94616 3440

3450 0. 05817 0. 26749 0. 76420 0. 07398 0.32341 0. 85673 0. 09137 0. 38147 0. 94235 3450

3460 0. 05757 0. 26528 0. 76031 0. 07326 0.32093 0. 85286 0. 09054 0. 37875 0. 93855 3460

3470 0. 05697 0. 26309 0. 75644 0. 07255 0.31848 0. 84900 0. 08971 0. 37605 0. 93475 3470

3480 0. 05638 0. 26092 0.75258 0. 07184 0. 31604 0.84515 0.08889 0. 37336 0. 93096 3480

3490 0. 05580 0. 25877 0. 74873 0. 07114 0.31362 0.84131 0. 08807 0. 37070 0.92717 3490

3500 0. 05522 0.25663 0. 74490 0. 07045 0.31122 0. 83747 0. 08727 0. 36805 0. 92340 3500

3510 0. 05465 0. 25451 0. 74107 0. 06977 0.30884 0. 83365 0. 08647 0. 36542 0. 91963 3510

3520 0. 05408 0. 25241 0. 73726 0. 06909 0.306<7 0. 82984 0. 08568 0. 36281 0.91587 3520

3530 0. 05352 0. 25032 0. 73346 0.06842 0.30412 0. 82603 0. 08489 0. 36021 0. 91211 3530

3540 0. 05297 0. 24825 0.72967 0.06775 0.30179 0. 82224 0. 08412 0. 35764 0. 90837 3540

3550 0. 05242 0. 24620 0. 72590 0. 06710 0.29947 0. 81846 0. 08335 0. 35508 0. 90463 3550

3560 0. 05187 0. 24416 0. 72213 0. 06645 0.29718 0. 81468 0. 08259 0. 35254 0. 90090 3560

3570 0. 05134 0. 24214 0. 71838 0. 06580 0.29490 0. 81092 0. 08183 0. 35002 0. 89717 3570

3580 0. 05081 0. 24014 0. 71464 0. 06516 0.29263 0. 80717 0. 08108 0. 34752 0. 89346 3580

3590 0. 05028 0. 23815 0. 71092 0.06453 0.29039 0. 80342 0. 08034 0. 34503 0. 88975 3590

163
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

V -(fo-e°)/t s° c° -(f°-e°)/t so ca -(f°-e°)/t s° c° U p 0 P ' 0 p

T= 1400. T=1500. T= 1600.

3600 0. 04976 n 0. 70720 n\j . u . ^ o o L o 0. 07961 j*rc. J O Ann

3610 0. 04924 0. 23422 0. 70350 0. 06328 0.28595 0.79596 0. 07888 0. 34011 0.88235 3610

3620 0. 04873 0. 23228 0. 69981 0. 06267 0.28375 0.79225 0. 07816 0. 33767 0.87867 3620

3630 0. 04823 0. 23036 0. 69614 0. 06206 0.28157 0.78854 0. 07745 0. 33525 0.87499 3630

3640 0. 04773 0. 22845 0. 69247 0. 06146 0.27940 0.78485 0. 07674 0. 33285 0.87132 3640

3650 0. 04724 0. 22655 0. 68882 0. 06087 n. 7B1 17 0. 07604

3660 0. 04675 0. 22467 0. 68518 0. 06028 0.27512 0.77749 0. 07535 0. 32810 0.86401 3660

3670 0. 04626 0. 22281 0.68155 0. 05969 0.27301 0.77383 0. 07466 0. 32574 0.86036 3670

3680 0. 04579 0. 22096 0. 67794 0. 05911 0.27091 0.77018 0. 07398 0. 32341 0.85673 3680

3690 0. 04531 0. 21912 0. 67434 0. 05854 0.26882 0.76653 0.07330 0. 32109 0.85310 3690

3700 0. 04484 0. 21730 0. 67075 0. 05797 0.\J m 76790 1 \J C ^ \J 0. 07264 0.

3710 0. 04438 0. 21550 0. 66717 0. 05741 0.26470 0.75928 0. 07197 0. 31650 0.84587 3710

3720 0.04392 0. 21371 0. 66361 0. 05686 0.26266 0.75567 0. 07132 0. 31422 0.84226 3720

3730 0. 04347 0. 21193 0. 66006 0. 05631 0.26064 0.75207 0. 07067 0. 31197 0.83867 3730

37A0 0. 04302 0. 21017 0. 65652 0. 05576 0.25863 0.74848 0. 07002 0. 30973 0.83508 3740

3750 0. 04257 0. 65300 0. 05522 0.06939 0. 30750

3760 0. 04213 0. 20668 0. 64948 0. 05469 0.25465 0.74133 0. 06875 0. 30529 0.82793 3760

3770 0. 04170 0. 20496 0. 64598 0. 05416 0.25269 0.73777 0.06813 0. 30310 0.82437 3770

3780 0. 04127 0. 20326 0. 64250 0. 05363 0.25074 0.73422 0. 06751 0. 30092 0.82082 3780

3790 0. 04084 0. 20156 0. 63902 0. 05311 0.24880 0.73068 0. 06689 0. 29876 0.81728 3790

3800 0. 04042 0 . 19989 0. 63556 0. 05260 0.72715 0. 06628 0. 29661 0.81374 3800

3810 0.04000 0. 19822 0. 63211 0.05209 0.24498 0.72364 0.06568 0. 29447 0.81021 3810

3820 0. 03959 0. 19657 0. 62868 0.05159 0.24309 0.72013 0. 06508 0. 29235 0.80670 3820

3830 0. 03918 0. 19493 0. 62525 0. 05109 0.24121 0.71664 0. 06449 0. 29025 0.80319 3830

38<r0 0. 03878 0. 19330 0. 62184 0. 05059 0.23934 0.71315 0. 06390 0.28816 0.79969 3840

J O J w 0. 03838 0. 19169 0. 61845 0. 05011 0 - ? ^74<J 0.06332 0. 28608 0\J m 79#>19 1 7 o X 7 3850

3860 0. 03798 0. 19009 0. 61506 0. 04962 0.23566 0.70621 0. 06275 0. 28402 0.79271 3860

3870 0. 03759 0. 18850 0. 61169 0. 04914 0.23383 0.70276 0. 06218 0.28198 0.78924 3870

3880 0. 03720 0. 18693 0. 60833 0. 04867 0.23202 0.69932 0. 06161 0. 27994 0.78577 3880

3890 0. 03682 0. 18537 0. 60499 0. 04820 0.23023 0.69589 0. 06105 0.27793 0.78232 3890

0. 03644 0. 18382 0.60165 0. 04773 W . O 7£ " 1 0. 06050 0. 27592 n»V.I77flft7 fool

3910 0. 03606 0. 18228 0. 59833 0. 04727 0.22668 0.68906 0. 05995 0. 27393 0.77543 3910

3920 0. 03569 0. 18076 0. 59502 0. 04681 0.22492 0.68567 0. 05940 0. 27196 0.77200 3920

3930 0. 03532 0. 17925 0. 59173 0. 04636 0.22318 0.68228 0. 05886 0.26999 0.76858 3930

3940 0. 03495 0.17775 0. 58845 0.04591 0.22145 0.67890 0. 05833 0. 26804 0.76517 3940

3950 0. 03459 0. 17626 0. 58518 0. 04547 0.21973 0.67554 0. 05780 0. 26611 0.76177 3950

3960 0. 03424 0. 17478 0. 58192 0.04503 0.21803 0.67218 0. 05727 0. 26419 0.75838 3960

3970 0. 03388 0. 17332 0. 57868 0. 04460 0.21634 0.66884 0. 05675 0. 26228 0.75499 3970

3980 0.03354 0. 17187 0. 57545 0.04417 0,21466 0.66551 0. 05624 0. 26038 0.75162 3980

3990 0. 03319 0. 17043 0. 57223 0. 04374 0.21299 0.66219 0. 05573 0.25850 0.74825 3990

4000 0. 03285 0. 16900 0. 56903 0. 04332 0.21134 0.65888 0. 05522 0. 25663 0.74490 4000

164
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

V -(f°-eo)/t s° c° -(f°-e°)/t s° c° -(f°-e°)/t s°

cm

T= 1700. T= 1800. T = 1900.

100 4. 99062 6. 89489 1 . 98598 5.09960 7. 00841 1 .98611 5. 20292 7. 11579 1 .98622 100

110 4.80951 6. 70561 1 .98573 4.91803 6.81912 1 .98589 5. 02094 6. 92650 1.98602 110

120 4.64488 6. 53284 1 .98546 4.75295 6. 64634 1 .98565 4. 85545 6. 75370 1.98580 120

130 4.49408 6. 37393 1 .98517 4.60170 6. 48741 1.98538 4. 70380 6- 59476 1.98557 130

140 4. 35506 6. 22683 1 .98485 4.46223 6. 34029 1 .98510 4. 56393 6. 44762 1.98531 140

150 4. 22620 6. 08990 . 98450 4. 33292 6. 20334 1 .98479 4. 4342 1 6. 31066 1.98503 150

160 4.10618 5. 96184 1 .98414 4.21245 6. 07526 1 .98446 4. 31334 6. 18256 1.98474 160

170 3.99392 5. 84156 1 .98375 4.09975 5. 95496 1 .98412 4. 20024 6. 06224 1.98443 170

180 3.88854 5. 72818 1 .98333 3.99392 5. 84156 1 .98375 4. 09401 5. 94883 1.98410 180

190 3.78929 5. 62096 1 .98289 3.89423 5. 73431 1 .98335 3. 99392 5. 84156 1.98375 190

200 J . U 7 J "f 5.51926 1

li . 7 O t. ~ -J 5. 63259 1 .98294 3. 89933 5 , 73982 1 . 98338 200

210 3.60675 5. 42255 1 .98195 3.71080 5. 53585 1 .98251 3. 80971 5. 64306 1.98299 210

220 3.52246 5. 33036 1 .98144 3.62608 5. 44364 1 .98206 3. 72458 5. 55082 1.98258 220

230 3.44227 5. 24230 1 .98091 3.54545 5. 35554 1 .98158 3. 64356 5. 46270 1.98215 230

240 3.36583 5. 15800 1 .98035 3.46857 5.27122 1 .98109 3. 56629 5. 37835 1.98171 240

250 3.29283 5. 07717 1 .97977 3. 39513 5. 19036 1.98057 3. 49246 5. 29746 1 . 98 125 250

260 3.22299 4.99954 1 .97917 3.32486 5. 11269 1 .98003 3. 42180 5. 21976 1.98076 260

270 3. 15609 4. 92485 1 .97855 3.25753 5. 03797 1 .97947 3. 35408 5. 14502 1.98026 270

280 3.09191 4. 85291 1 .97790 3.19291 4. 96599 1 .97890 3.28907 5. 07301 1.97974 280

290 3.03025 4. 78351 1 .97722 3. 13082 4. 89656 1 .97830 3. 22659 5. 00355 1.97920 290

300 2.97094 4. 71650 1 .97653 3.07108 4. 82950 1 .97767 3. 16647 4. 93646 1.97865 300

310 2.91383 4.65170 1.97581 3.01354 4.76467 1 .97703 3. 10855 4. 87159 1.97807 310

320 2.85877 4. 58898 1 .97507 2.95806 4.70191 1 .97637 3.05268 4. 80880 1.97747 320

330 2.80565 4. 52821 1 .97430 2.90451 4. 64110 1 .97569 2. 99875 4. 74796 1.97686 330

340 2.75434 4. 46929 1 .97351 2.85278 4. 58213 1 .97498 2. 94663 4. 68895 1.97623 340

350 2.70474 4. 41209 1 .97270 2.80275 4.52489 1 .97426 2. 89623 4. 63167 1.97558 350

360 2.65674 4. 35653 1 .97187 2.75434 4. 46929 1 .97351 2. 84743 4. 57603 1.97491 360

370 2.61027 4. 30252 1 .97101 2.70745 4. 41523 1 .97275 2. 80016 4. 52193 1.97422 370

380 2.56525 4. 24996 1 .97013 2.66200 4. 36263 1 .97196 2. 75434 4. 46929 1.97351 380

390 2.52158 4. 19880 1 .96923 2.61792 4. 31141 1 .97115 2. 70988 4. 41803 1.97279 390

400 2.47921 4. 14896 1 .96830 2.57513 4. 26152 1.97033 2. 66672 4. 36810 1. 97205 400

410 2.43807 4. 10036 1 .96735 2.53358 4. 21288 1 .96948 2. 62479 4. 31941 1.97128 410

420 2,39811 4. 05297 1 .96638 2.49319 4. 16543 1 .96861 2. 58403 4. 27192 1.97050 420

430 2.35925 4. 00671 1 .96538 2.45393 4. 11912 1 .96772 2. 54440 4. 22556 1.96970 430

440 2.32146 3. 96154 1 .96436 2.41573 4. 07389 1 .96681 2. 50582 4. 18029 1.96889 440

450 2. 28469 3. 91740 1 .96332 2.37854 4. 02970 1 .96588 2. 46827 4. 13605 1 .96805 450

460 2.24888 3. 87426 1 .96226 2.34233 3. 98650 1 .96493 2. 43169 4.09280 1.96720 460

470 2.21401 3. 83208 1 .96117 2.30704 3. 94425 1 .96396 2. 39603 4. 05051 1.96633 470

480 2. 18002 3. 79080 1 .96006 2.27265 3. 90292 1 .96297 2. 36127 4. 00912 1.96543 480

490 2. 14688 3. 75039 1 .95893 2.23910 3. 86245 1 .96196 2. 32736 3. 96860 1.96453 490

500 2. 11456 3. 71083 1.95778 2.20638 3. 82283 1 .96093 2. 29427 3. 92892 1.96360 500

510 2.08302 3.67207 1 .95660 2.17443 3. 78400 1 .95988 2. 26196 3. 89005 1.96265 510

520 2.05223 3. 63409 1 .95540 2.14325 3. 74596 1 .95881 2. 23041 3. 85194 1.96169 520

530 2.02217 3. 59686 1 .95418 2.11278 3. 70866 1 .95771 2. 19959 3. 81459 1.96071 530

540 1.99280 3. 56034 1 .95294 2.08302 3. 67207 1 .95660 2. 16946 3. 77795 1.95971 540

550 1.96410 3. 52452 1 .95167 2.05392 3. 63618 1.95547 2. 14001 3. 74200 1.95869 550

560 1.93605 3. 48936 1 .95038 2.02547 3. 60096 1 .95432 2. 11120 3. 70671 1.95766 560

570 1.90862 3. 45485 1 .94907 1.99765 3. 56638 1 .95315 2. 08302 3. 67207 1.95660 570

580 1.88179 3. 42097 1 .94774 1.97042 3. 53242 1 .95196 2. 05544 3. 63805 1.95553 580

590 1.85554 3. 38768 1 .94639 1.94378 3. 49906 1 .95074 2. 02844 3. 60463 1.95444 590

c°

p

z/-1 cm

165
cm

-1

Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

.(Fo_eo)/t SO c°

p

(f°-e°)/t s° c°

p

-(f°-e°)/t s° c°

p

V

cm

T=1700. T=1800. T=I900.

600 1 .82984 3. 35498 1 .94501 1 .91769 3.46628 1.94951 2.00200 3. 57179 1.95333 600

610 1 . 80469 3. 32284 1 .94361 1 .89215 3. 43407 I .94826 1.97610 3. 53952 1 .95221 610

620 1 . 78006 3. 29125 1 . 94219 1 . 86713 3.40240 1 .94699 1.95073 3. 50778 1 .95107 620

630 1 .75594 3. 26018 1 .94075 1 .84262 3.37126 1 .94570 1.92587 3. 47657 1 .94990 630

640 1 .73230 3. 22963 1 .93929 1 .81860 3.34063 I .94439 1.90150 3. 44587 1 .94873 640

650 1 .70914 3. 19958 1 .93780 1 .79505 3.31049 1 .94306 1.87760 3. 41567 1 .94753 650

660 1 .68644 3. 17000 1 .93630 1 .77197 3. 28084 1 .94172 1.85417 3. 38595 1 .94632 660

670 1 .66418 3. 14090 1 .93477 1 .74932 3.25165 1 . 94035 1 .83118 3. 35669 1 . 94508 670

680 1 .64235 3. 11224 1 .93322 1 .72712 3.22291 1 .93896 1 .80863 3. 32788 1 .94384 680

690 1 .62094 3. 08403 1 .93165 I .70533 3. 19461 1 .93755 1.78649 3. 29951 1 .94257 690

700 1 .59994 3. 05625 1 .93005 1 .68394 3.16675 1 .93613 1.76477 3. 27157 1 .94129 700

710 1 .57933 3. 02888 1 .92844 1 .66296 3.13929 1 .93468 1.74344 3. 24404 1 .93998 710

720 1 .55910 3. 00192 1 .92680 1 .64235 3. 11224 1 .93322 1.72249 3. 21692 1 .93867 720

730 1 .53925 2. 97536 1 .92515 1 .62212 3. 08559 1 .93173 I. 70192 3. 19019 1 .93733 730

740 1 .51976 2. 94918 1 .92347 1 .60225 3.05932 1 .93023 1.68172 3. 16384 1 .93598 740

750 1 .50061 2. 92337 I .92177 1 . 58274 3.03342 1 .92871 1.66186 3. 13786 1 .93460 750

760 1 .48181 2. 89793 1 .92005 1 .56357 3.00788 1 .92717 1.64235 3. 11224 1 .93322 760

770 1 .46334 2. 87284 1 .91831 1 .54473 2.98270 1 .92561 1.62318 3. 08698 1 .93181 770

780 1 .44520 2. 84810 1 .91655 1 .52621 2.95786 1 .92403 1.60433 3.06206 1 .93039 780

790 1 .42737 2. 82369 1 .91477 1 .50802 2.93336 1 .92243 1.58580 3. 03748 1 .92895 790

800 1.40985 2. 79962 1 .91296 1 .49013 2. 90919 1 .92082 1. 56757 3. 01323 1 .92749 800

8 10 1 .39262 2. 77587 1 .91114 1 .47254 2. 88534 1 .91918 1. 54965 2. 98929 1 .92602 810

820 1 .37569 2. 75243 1 .90929 1 .45524 2. 86180 I .91753 1.53203 2. 96567 1 .92453 820

830 1 .35904 2. 72930 1 .90743 1 .43823 2.83857 1 .91586 1.51468 2. 94235 1 .92302 830

840 1 .34267 2. 70646 1.90555 1 .42149 2.81563 1 .91417 1.49762 2. 91933 1 .92150 840

850 1 .32657 2. 68392 1.90364 1 .40503 2. 79299 1.91246 1.48083 2. 89660 1 .91996 850

860 1 .31073 2.66167 1 .90171 1 .38883 2. 77063 1 .91073 1.46431 2. 87415 1 .91840 860

870 1 .29515 2. 63970 1 .89977 1 .37290 2. 74855 1 .90899 1.44804 2. 85198 1.91683 870

880 1 .27982 2. 61800 1 .89780 1 .35721 2.72675 1.90722 1.43203 2. 83008 1 .91524 880

890 1 .26473 2. 59656 1 .89582 1 .34177 2.70520 1 .90544 1.41627 2. 80845 1 .91363 890

900 1 .24989 2. 57539 1 .89381 1 .32657 2.68392 1 .90364 1.40074 2. 78708 1 .91201 900

910 1.23528 2. 55448 1 .89179 1.31160 2.66290 1 .90182 1.38546 2. 76596 1.91036 910

920 1 .22089 2. 53381 1 .88974 1 .29687 2.64212 1 .89999 1. 37040 2. 74509 1.90871 920

930 I .20673 2. 51339 1 .88768 1 .28236 2.62159 1 .89813 1.35557 2. 72447 1 .90704 930

940 1 .19279 2. 49321 1 .88559 1 .26806 2.60130 1 .89626 1.34096 2. 70408 1 .90535 940

950 1 .17906 2, 47327 1 .88349 1.25399 2. 58125 1 .89437 1. 32657 2. 68392 1 .90364 950

960 1 .16554 2. 45356 1 .88137 1 .24012 2.56142 1 .89246 1.31238 2. 66400 1.90192 960

970 1 .15223 2. 43408 1 .87922 1 .22646 2.54182 1 .89054 1.29841 2. 64430 1 .90018 970

980 1 .13911 2. 41481 1 .87706 1 .21300 2. 52244 1 .88860 1.28463 2. 62482 1 .89843 980

990 1 .12619 2. 39577 1 .87488 1 .19973 2.50327 1.88664 1.27105 2. 60555 1 .89666 990

1000 1 .11346 2. 37693 1 .87268 1 .18666 2.48432 1 .88466 1.25767 2. 58650 1 .8948t 1000

1010 1 . 10092 2. 35831 1 .87046 1 .17378 2.46558 1 .88267 1.24448 2. 56766 1 .89307 1010

1020 1 .08856 2. 33989 1 .86822 1 .16108 2.44704 1 .88065 1.23147 2. 54901 1 .89125 1020

1030 1 .07638 2.32168 1 .86597 1 .14856 2.42870 1 .87862 1.21864 2. 53057 1 .88942 103Q

1040 1 .06438 2. 30366 1 .86369 1.13622 2.41056 1 .87658 1.20599 2. 51232 1 .88757 1040

1050 1 .05255 2. 28584 1 .86140 1.12406 2.39261 1 .87452 1.19352 2. 49427 1 .88570 1050

1060 1 .04089 2.26820 1 .85909 1 .11206 2.37486 1 .87244 1. 18122 2. 47641 1 .88382 1060

1070 1 .02939 2. 25076 1 .85675 1 .10023 2.35728 1 .87034 1.16908 2. 45873 1 .88193 1070

1080 1 .01806 2. 23350 1 .85441 1 .08856 2.33989 1 .86822 1.15711 2. 44123 1 .88002 1080

1090 1 .00688 2. 21642 1 .85204 1 .07705 2.32269 1 .86609 1.14530 2. 42391 1 .87809 1090

166
V

cm

-1

Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

•(FO-Eo)/T S° COP -(F°-E°)/T 3° eg •(F0-E°)/T S° C°

P cm

T =1700. T=1800. T=1900.

1100 0. 99586 2.19951 I .84965 1.06570 2.30565 1 .86395 1. 13365 2.40677 1 .87615 1100

lllO 0. 98500 2 . 18279 1 ,84725 1.05451 2.28879 1 .86178 1. 12215 2.38980 1 .87419 1110

1 120 0. 97428 2 .16623 1 . 84483 1.04346 2.2721

1 . 85960 1. 11081 2.37300 1 . 87222 1120

1130 0.96371 2 .14984 1 . 84239 1.03257 2. 25559 1 . 85740 1. 09961 2. 35636 1 .87023 1130

1140 0. 95329 2 .13362 1 .83993 1.02182 2. 23923 1 .85519 1.08856 2. 33989 I .86822 1 140

1150 0.94300 2 .11756 1 .83746 1.01121 2.22304 1 .85296 1. 07766 2.32359 1 .86621 1150

1160 0. 93286 2 .10166 1 .83496 1.00074 2.20701 1 .85072 1

06689 2.30744 1 . 86417 1160

1170 0. 92285 2 .08592 1 .83245 0.99041 2.19113 1 .84845 1

05627 2.29145 1 .86212 1170

1180 0. 91297 2.07034 1 .82993 0.98021 2. 17541 1 .84617 104578 2.27561 1 .86006 1180

1190 0.90323 2 .05491 1 .82738 0.97015 2. 15984 1 .84388 103542 2.25992 1 .85798 1190

1200 0. 89362 2 .03963 1 .82482 0.96022 2. 14442 1 .84157 1. 02520 2.24438 1 .85589 1200

1210 0.88413 2 .02449 1 . 82224 0.95041 2.12914 1 . 83924 101510 2.22899 1 .85378 1210

1220 0.87477 2.00951 1 .81964 0.94074 2. 11401 1 .83690 1. 00513 2.21374 1 .85166 1220

1230 0. 86553 1 .99466 1 .81703 0.93118 2.09903 1 .83455 0. 99529 2. 19863 1 .84953 1230

1240 0. 85641 1 .97996 1 .81440 0.92175 2.08418 1 .83217 0. 98556 2.L8366 1 .84738 1240

1250 0. 84741 1 .96540 1 .81176 0.91243 2.06948 1 .82978 0. 97596 2.16883 1 .84521 1250

1260 0.83852 1 .95097 1 .80909 0.90323 2. 05491 1 .82738 0. 96648 2. 15414 1 .84303 1260

1270 0. 82975 1 .93668 1 .80641 0.89415 2.04047 1 . 82496 0. 95711 2. 13958 1 .84084 1270

1280 0. 82109 1 .92252 1 .80372 0.88518 2.02617 1 .82253 0. 94786 2.12515 1 .83863 1280

1290 0. 81254 1 .90850 1 .80101 0.87632 2.01199 1 .82008 0. 93871 2. 11085 1 .83641 1290

1300 0. 80409 I .89460 1.79828 0.86757 1.99795 1 .81761 0. 92968 2.09668 1 .83417 1300

1310 0. 79576 1 .88083 1 .79553 0.85893 1.98403 1 .81513 0. 92076 2.08263 1 .83192 1310

1320 0.78753 1 .86719 1 .79277 0.85039 1.97024 1 . 81264 0. 91194 2.06871 1 .82966 1320

1330 0. 77940 1 .85367 1 .79000 0.84196 1.95656 1 .81013 0. 90323 2.0549 1 1 .82738 1330

1340 0.77137 1 .84027 1 .78721 0. 83363 1.94301 1 .80761 0. 89462 2.04123 1 .82509 1340

1350 0. 76345 1 .82699 I .78440 0.82540 1.92958 1 .80507 0. 88612 2.02767 1 .82278 1350

1360 0.75562 1 .81383 1 .78157 0.81727 1.91627 1 .80251 0. 87771 2.01422 1 .82047 1360

1370 0. 74788 1 .80079 1 .77874 0. 80924 1.90308 1 . 79995 0. 86940 2.00089 I .81813 1370

1380 0. 74024 1 .78786 1 . 77588 0.80130 1.89000 1 .79736 0. 86119 1.98768 1 .81579 1380

1390 0. 73270 1 .77505 1 .77301 0.79346 1.87703 1 .79477 0. 85308 1.97458 1 .81343 1390

1400 0. 72525 1 .76235 1.77013 0.78571 1.86417 1 .79216 0.84506 1.96159 1 .81106 1400

1410 0. 71788 1 .74976 1 .76723 0.77805 1.85142 1 .78953 0. 83713 1.94871 1 .80867 1410

1420 0. 71061 1.73729 1 .76432 0. 77049 1. 83879 1 .78689 0. 82929 1.93593 1 .80627 1420

1430 0. 70342 1 .72491 1 .76139 0.76301 1.82626 1 .78424 0. 82154 1.92326 1 .80386 1430

1440 0. 69632 1 .71265 1 .75844 0. 75562 1. 81383 \ .78157 0. 81388 1 .91070 1 .80143 1440

1450 0. 68931 1 .70049 1 .75549 0.74831 1.80151 1 .77889 0. 80631 1.89824 1 .79900 1450

1460 0. 68237 1 .68844 1 .75251 0.74109 1.78930 1 .77620 0. 79882 1.88589 1 .79655 1460

1470 0. 67552 1 .67648 1 .74953 0.73395 1.77718 . 77349 0. 79141 1.87363 1 .79408 M70

1480 0. 66876 1 .66463 1 .74653 0.72689 1. 76517 1 . 77077 0. 78409 1 . 86148 1 .79161 1480

1490 0. 66207 1 .65288 1 .74351 0.71992 1. 75325 1 . 76804 0. 77685 1. 84942 1 .78912 1490

1500 0. 65546 1 .64123 1 .74048 0.71302 1. 74143 1 . 76529 0. 76970 1 .83746 1.78662 1500

1510 0. 64892 1 .62967 1 .73744 0.70621 1.72971 1 .76253 0. 76262 1.82560 1 .78410 1510

1520 0. 64246 1 .61822 1 .73438 0.69947 1.71809 1 .75975 0. 75562 1.81383 1 .78157 1520

1530 0. 63608 1 .60685 I .73131 0.69280 1.70656 1 .75697 0. 74869 1.80216 1 .77904 1530

1540 0. 62977 1 .59558 1 .72823 0.68622 1.69512 1 .75417 0. 74184 1.79058 1 .77648 1540

1550 0. 62354 1 .58441 1.72513 0.67970 1.68378 1 .75135 0. 73507 1.77909 1 .77392 1550

1560 0. 61738 1 .57332 1 .72202 0.67326 1.67252 1 .74853 0. 72837 1.76769 1 .77135 1560

1570 0. 61128 1 .56233 1 .71889 0.66689 1.66136 1 .74569 0. 72175 1.75638 1 .76876 1570

1580 0. 60526 1 .55143 1 .71576 0.66059 1.65028 1 .74284 0. 71519 1.74515 1 .76616 1580

1590 0. 59931 1.54061 I .71261 0.65436 1.63930 1 .73998 0. 70871 1.73402 1 .76355 1590

167
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

V -(F0-E°)/T S° C° _(fo-Eo)/t s° c° -(f°-eo)/t s° P ^ P 0 cm

T =1700. T =1800. T=1900.

1600 0. 59342 1 .52988 1 .70944 0. 64820 1 .62840 1 .73710 0.70230 1 .72297 1.76092 1600

1610 0. 58760 1 .51924 1 . 70627 0. 64211 1 .61758 1 . 73421 0. 69595 1.71201 1.75829 1610

1620 0. 58185 1 .50869 1 . 70308 0. 63608 1 . 60685 1 .73131 0. 68967 1 .70113 1.75564 1620

1630 0.57616 1.49822 1 . 69988 0. 63012 1 . 5962

1 . 72840 0. 68346 1 .69033 1.75298 1630

1640 0. 57053 1 .48783 1 . 69666 0. 62423 1 .58565 1 . 72547 0. 67732 1 •67962 1.75031 1640

1650 0. 56497 1.47753 1 .69344 0.61840 1 .57517 1 .72254 0. 67124 1 . 66899 1.74763 1650

1660 0. 55947 1 .46730 1 . 69020 0. 61263 1 . 56477 1 .71959 0. 66522 1 .65844 1 .74494 1660

16 fO 0. 55403 1 .45716 1 . 68695 0. 60693 1 . 55445 1 . 7 1663 0. 65927 1 .64796 1.74224 1670

1 Q n 0. 54865 1.44710 1 0. 60128 1 . 5442 I 1 .71 366 0.65338 1 . 6375 7 1.73952 1680

1 A o n 0. 54334 I .43712 1 .68041 0. 59570 I . 5 3405 1 . 71067 0. 64756 1 i 1 1 1 c

1 . 73680 1690

1700 0. 53808 1 .42721 1 .67713 0. 59018 1 .52396 1 .70768 0. 64179 i . 6 I 70Z 1.73406 1700

1710 0. 53288 1 .41739 1 .67383 0. 58471 1 . 5 1396 1 . 70467 0. 63608 1 .60685 1.73131 1710

1 T 1 1/^0 0. 52773 I .40764 1 .67052 0.57931 1 . 50402 1 . 70166 0. 63044 1 1.72855 1720

1 T -5 A 1 730 0. 52264 1 .39796 I .66720 0. 57396 1 . 49417 1 . 69863 0.62485 1 . 58675 1.72578 1730

1740 0.51761 1 .38836 1 .66387 0. 56867 1 .48439 1 .69559 0. 61931 1 . 57681 1. 72300 1740

1750 0. 51263 1 .37884 1 .66052 0. 56344 1 .47468 1 .69254 0. 61384 1 .56695 1.72021 1750

1760 0. 50771 1.36939 1 .65717 0. 55826 1 . 46504 1 . 68948 0. 60842 1 .55716 1.71741 1760

1770 0. 50284 1 .36001 I .65380 0. 55313 1 . 45548 1 .68641 0. 60306 1 .54743 1.71460 1770

1780 0. 49803 1 .35070 1.65043 0. 54806 1 . 44599 1 .68332 0. 59775 1 .53778 1.71177 1780

1790 0. 49326 1 .34146 1 .64704 0. 54304 1 .43657 1 .68023 0. 59250 1 .52820 1.70894 1790

1800 0. 48855 1 .33229 1 .64364 0. 53808 1 .42721 1 .67713 0. 58730 1 .51869 1.70610 1800

1810 0. 48389 1 .32320 1 .64024 0. 53316 1 .41793 1 .67401 0. 58215 1 .50924 1.70325 1810

1820 0. 47927 1 .31417 1 .63682 0. 52830 1 .40872 1 .67089 0. 57705 I .49987 1.70038 1820

1830 0. 47471 1 .30521 1 .63339 0. 52349 1 . 39957 1 .66775 0.57201 1 .49056 1 .69751 1830

1840 0.47020 1 .29632 1 .62995 0. 51873 1 . 39049 1 .66461 0. 56701 1 .48131 1.69463 1840

1850 0. 46573 1 .28749 1 .62650 0. 51401 1 .38148 1 .66145 0. 56207 1 .47214 1.69173 1850

1860 0. 46131 1 .27873 1.62304 0. 50935 1 .37253 1.65829 0. 55717 1 .46302 1.68883 1860

1870 0. 45694 1 .27004 1 .61957 0. 50473 1 .36364 1 .65511 0. 55233 1 .45398 1.68592 1870

1880 0. 45262 1 .26141 1 .61610 0. 50016 1 .35483 1 .65193 0. 54753 1 .44499 1.68300 1880

1890 0. 44834 1 .25285 1 .61261 0. 49564 1 .34607 1 .64874 0. 54278 1 .43607 1 .68007 1890

1900 0. 44410 1 .24435 1 .60911 0. 49116 1 .33738 1 .64553 0. 53808 1.42721 1.67713 1900

1910 0. 43991 1 .23591 1.60561 0. 48673 1 .32875 1.64232 0. 53342 1 .41842 1 .67418 1910

1920 0. 43577 1 .22754 1 .60209 0. 48234 1 .32018 1 .63910 0. 52881 1.40968 1 .67122 1920

1930 0. 43167 1 .21922 1 .59856 0. 47800 1 .31167 1 .63587 0. 52424 1 .40101 1.66825 1930

1940 0.42761 1 .21097 1 .59503 0. 47370 1.30323 1 .63263 0. 51972 1 .39240 1 .66527 1940

1950 0. 42359 1 .20278 1 .59149 0. 46945 1 .29484 1 .62938 0. 51525 1 .38384 1.66228 1950

1960 0. 41962 1 .19465 1 .58794 0.46524 1 .28652 1 .62612 0. 51082 1 .37535 1.65929 1960

19^ 0. 41568 1 .18657 1 .58438 0. 46107 1 .27825 1 .62285 0. 50643 1 .36691 1.65628 1970

1980 0. 41179 1 .17856 1 .58081 0. 45694 1 .27004 1 .61957 0. 50208 1 .35853 1.65327 1980

1990 0. 40794 1 .17061 1 .57723 0. 45286 1 .26189 1 .61629 0. 49777 1 .35021 1.65025 1990

2000 0. 40412 1 .16271 1 .57365 0. 44881 1 .25380 1 .61300 0.49351 1 .34195 1.64722 2000

2010 0. 40035 1 .15487 1 .57005 0. 44481 1 .24576 1 .60970 0. 48929 1 .33374 1.64418 2010

2020 0. 39662 1 . 14709 1 .56645 0.44084 1 .23778 1 .60639 0. 48511 1 .32559 1.64113 2020

2030 0. 39292 1 .13936 1 .56284 0.43692 1 .22986 1 .60307 0. 48097 1 .31749 1.63808 2030

2040 0. 38926 1 .13169 1 .55922 0. 43303 1 .22199 1 .59974 0. 47687 1 .30945 1.63501 2040

2050 0. 38564 1 .12407 1 .55560 0.42918 1.21417 1 .59641 0. 47281 1 .30146 1.63194 2050

2060 0. 38206 1 .11651 1 .55197 0. 42537 1 .20641 1 .59306 0. 46878 1 .2>352 1.62886 2060

2070 0. 37851 1 .10901 1 .54833 0. 42160 1 . 19870 1 .58971 0. 46480 1 .28564 1.62577 2070

2080 0.37500 I .10155 1 .54468 0. 41786 1 .19105 1 .58636 0.46085 1 .27782 1.62268 2080

2090 0. 37152 1 .09415 1 .54102 0.41416 1 . 18345 1 .58299 0. 45694 1 .27004 1.61957 2090

c°

p cm

168
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

V

-1 cm

-(.F°-E°j/T S°

T= I 700.

C°

P

-(f°-E°)/T

1 —

s° eg -(f°-E°)/T

T —

1 —

s°

1 onn

C°

P

V

-1 cm

2100 0.36808 1.08681 1. 53736 0. 41050 1. 17590 1. 57962 0. 45307 1. 26232 1 .61646 2100

2110 0. 36468 I . 07951 1

53369 0 . 4068 f

1 16841 1

R 7 O A U. 1

1 .

1 ^ '3 A

Id if ^ 1 1 A

2120 0. 36 1 3 I

t "? 1 1 T

1 . 07Z<c7 1

C Q T 53002 0. /.Olio 1 . 16096 1 • U. A A C A A

1

<c4 1 03 1 A 1 n o o "9 1 on 2130 0. 35797 1 . 06508 1 • C O £ O 1 5Z633 0. o rt n "J o 39973 1 .

1 C 1 C ~T 13357 1 • c z. n A c 56945 u. A A 1 Z. "7 1

<:3946 1

iL.07 AO . oU f UH c. i 3U

0. 35h67 1 .05794 1 • 5Z264 0. ^ o z. o 39620 11 .

1 / z. o ^ 146Z3 1c ^ z. /*\ c r\U. A ^ 7 Q C 1O ^ 1 OA 1 A r\ O O A O 1 AA

2150 0.35140 1.05085 1. 51895 0. 39272 1. 13893 1. 56264 0. 43425 1. 22447 1 .60079 2150

2160 0.34816 1.04381 1. 51525 0. 38926 1. 13169 1. 55922 0. 43059 1. 21704 1 .59764 2160

2170 0.34496 1.03682 1. 51154 0. 38584 1. 12450 1. 55580 0. 42697 1. 20967 1 .59447 2170

2180 0.34179 1.02988 1. 50782 0. 38245 1. 11735 1. 55237 0. 42338 1. 20235 1 .59130 2180

2190 0.33864 1.02298 1. 50410 0. 37910 1. 11025 1. 54893 0. 41982 1. 19507 1 .58812 2190

2200 0. 33554 1. 01614 1.50037 0. 37578 1. 10320 1. 54549 0.41630 1. 18785 1. 58494 2200

2210 0. 33246 1. 00934 1.49664 0. 37249 1, 09620 1. 54204 0. 41281 1. 18066 1. 58175 2210

2220 0. 32941 1. 00259 1.49290 0. 36923 1. 08925 1. 53858 0. 40935 1. 17353 1. 57855 2220

2230 0. 32639 0. 99589 1.48916 0. 36600 1. 08234 1. 53512 0. 40592 1. 16644 1. 57535 2230

2240 0. 32341 0.98924 1.48541 0. 36280 1. 07548 1. 53165 0. 40253 1. 15940 1. 57213 2240

2250 0. 32045 0. 98263 1.48165 0. 35964 1. 06867 1. 52818 0. 39917 1. 15241 1. 56892 2250

2260 0. 31752 0. 97607 1.47789 0. 35650 1. 06190 1. 52470 0. 39583 1. 14546 1. 56569 2260

2270 0. 31462 0. 96955 1.47412 0.35339 1. 05517 1. 52121 0. 39253 1. 13855 1. 56246 2270

2260 0. 31175 0. 96308 1.47035 0. 35032 1. 04849 1. 51772 0. 38926 1. 13169 1. 55922 2280

2290 0.30891 0. 95665 1.46657 0. 34727 1. 04186 1. 51422 0. 38602 1. 12487 1. 55598 2290

2300 0. 30609 0.95027 1 .46279 0.34425 1.03527 1.51071 0. 38281 1.11810 1.55273 2300

2310 0. 30330 0. 94393 1.45901 0.34126 1.02872 1.50720 0. 37963 1. 11137 1.54948 2310

2320 0. 30054 0. 93764 1 .45522 0.33830 1.02222 1.50369 0. 37647 1.10468 1.54622 2320

2330 0. 29781 0. 93139 1.45142 0.33536 1.01576 1.50017 0. 37335 1.09804 1.54295 2330

2340 0. 29511 0. 92518 1 .44762 0.33246 1.00934 1.49664 0. 37025 1.09144 1.53968 2340

2350 0. 29243 0. 91902 1 .44382 0.32958 1.00297 1.49311 0. 36718 1.08488 1.53640 2350

2360 0. 28977 0.91289 1.44001 0.32673 0.99664 1.48957 0. 36414 1.07836 1.53311 2360

2370 0. 28715 0. 90681 1 .43619 0.32390 0.99034 1.48603 0. 36113 1.07189 1.52982 2370

2380 0.28454 0. 90077 1 .43238 0.32110 0.98410 1.48249 0. 35815 1.06545 1.52653 2380

2390 0.28197 0. 89478 1 .42856 0.31833 0.97789 1.47893 0. 35519 1.05906 1.52323 2390

2400 0. 27942 0. 88882 1 .42473 0.31558 0.97172 1.47538 0. 35226 1.05271 1.51992 2400

2410 0. 27689 0. 88290 1 .42090 0.31286 0.96559 1.47182 0. 34935 1.04639 1.51661 2410

2420 0.27439 0.87703 1 .41707 0.31017 0.95950 1.46825 0. 34647 1.04012 1.51329 2420

2430 0.27191 0. 87119 1 .41324 0.30750 0.95346 1.46468 0. 34362 1.03389 1.50997 2430

2440 0. 26945 0. 86540 1 .40940 0.30485 0.94745 1.46111 0. 34079 1.02769 1.50665 2440

2450 0. 26702 0. 85964 1 .40556 0.30223 0.94148 1.45753 0.33799 1.02154 1.50332 2450

2460 0. 26462 0. 85392 1 .40171 0.29963 0.93555 1.45395 0. 33521 1.01542 1.49998 2460

2470 0. 26223 0. 84824 1 .39786 0.29706 0.92966 1.45037 0. 33246 1.00934 1.49664 2470

2480 0. 25987 0. 84260 1 .39401 0.29451 0.92381 1.44678 0. 32973 1.00330 1.49330 2480

2490 0. 25753 0. 83700 1 .39016 0.29198 0.91799 1.44318 0.32703 0.99730 1.48995 2490

2500 0. 25522 0. 83144 1 .38630 0.28948 0.91222 1.43958 0. 32435 0.99134 1.48659 2500

2510 0. 25292 0. 82591 1 .38244 0.28700 0.90648 1.43598 0. 32169 0.98541 1.48323 2510

2520 0. 25065 0. 82042 1 .37858 0.28454 0.90077 1-43238 0. 31906 0.97952 1.47987 2520

2530 0. 24840 0. 81497 1 .37471 0.28211 0.89511 1.42877 0. 31645 0.97366 1.47650 2530

2540 0. 24617 0. 80955 1 .37084 0.27970 0.88948 1.42516 0. 31386 0.96784 1.47313 2540

2550 0.24396 0. 80417 1. 36698 0. 27731 0. 88389 1 .42154 0. 31130 0. 96206 1.46976 2550

2560 0.24178 0. 79883 1. 36310 0. 27494 0. 87833 1 .41792 0. 30876 0. 95632 1.46638 2560

2570 0.23961 0. 79353 1. 35923 0. 27259 0. 87281 1 .41430 0. 30624 0. 95061 1.46299 2570

2580 0.23747 0. 78825 1. 35535 0. 27027 0.86732 1 .41068 0. 30374 0. 94493 1.45961 2580

2590 0.23534 0. 78302 1. 35148 0. 26797 0. 86187 1 .40705 0. 30127 0. 93929 1.45621 2590

638951 O - 62 - 12

169
1/-1 cm

• (f°-e°)/t

Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

s° c°0° -(f°-e°)/t S° C? -(F°-E°)/T s°

p

c°

p

-(f°-e°)/t

p cm

T = 1700. T = 1800. 1 = 1900

2600 0. 23324 0.77782 1 .34760 0.26568 0. 85646 1 .40342 0. 29882 0.93369 1.45282

O A. 1 A u • ^ 3 1 1 D 0. 77265 1 . 343 1

0. 26342 0. 85108 1 o n o "7 o . 399 79 0. 29638 0.92812 1 .44942

u • 0 o o n o 0. 76752 1. 1 Q O "3 0.26118 0. 84573 1 . 3 y O 1 D 0. 29397 U . 922DO 1 . 44602

C. O

r\U • 1 O 7 n A 0. 76242 1 0. 25896 0. 84042 11 ^ Q O C 1 0.29159 f\ a 1 T r\ Q 0.91 / Oo 1 A A O A 1 1 . 442 6

o A n U • > o R n o 0. 75736 1 0. 25676 0. 83514 1 . 3ooo 1 0. 28922 0.91161 1 A "3 ri 1 1 1 .4392

2650 0. 22301 0. 75233 1 .32818 0. 25458 0.82990 1 .38523 0. 28687 0.90617 1.43579

2660 0. 22102 0.74734 1 .32429 0. 25242 0.82469 1 .38158 0. 28454 0.90077 1.43238

2610 0. 21905 0. 74238 1 .32040 0. 25027 0. 81951 1 .37793 0. 28224 0.89540 1.42896

2680 0. 21710 0. 73745 1 . 31651 0. 24815 0. 81437 1 .37428 0. 27995 0.89007 1.42554

2690 0. 21517 0. 73255 1 .31262 0. 24605 0. 80925 1 .37063 0. 27768 0.88477 1.42211

2700 0. 21326 0.72769 1 .30873 0. 24396 0. 80417 1 .36698 0. 27544 0.87950 1.41869

2710 0. 21136 0.72286 1 .30484 0. 24190 0. 79913 1 .36332 0.27321 0.87426 1.41526

2720 0. 20948 0. 71806 1 .30095 0. 23985 0. 79411 1 .35966 0. 27100 0.86905 1.41182

2730 0. 20762 0. 71329 1 .29705 0. 23782 0. 78913 1 .35600 0. 26881 0.86388 1.40839

2740 0. 20578 0. 70856 1 .29316 0. 23581 0.78418 1 .35234 0. 26664 0.85873 1.40495

2600 1 2610

2620

2630

2640

2650 I 2660 ! 2670 t 2680

2690

j 2700 I 2710

2720

2730

2740

U . 2U 3 7 D U • 1 \J DOZ> 1 0. 23382 0. 77926 1 .34868 0. 26449 0.85362 1 .40151 2 1 3U

£. f 0\J U« 2U2 IH u • o V y i o 1 O Q ^ "7 .28 D3

0.23185 0. 77437 1 .34501 0. 26236 0. 84854 1 .39806 07 ^2 1 b(J O "7 7 r\

£. f l\J U. 2UU3D 1 .28 148 0. 22989 0. 76951 1 .34134 0. 26024 0. 84349 1 .39462 2 1 f 0 H

2780 0.19857 0.68993 1 .27758 0. 22795 0.76469 1 .33768 0. 25815 0. 83847 1 .39117 2780

^

2790 0.19681 0.68535 1 .27369 0.22603 0.75989 1 .33401 0. 25607 0. 83348 1.38772 2790

O O rt 2800 0. 19507 0 . 68080 1 . 26979 0. 22412 0. 75512 1 .33034 0. 25401 0. 82852 1 .38427 •5 O A A 2800

2810 0 . 19334 0.67628 1 . 26590 0. 22224 0. 75039 1 .32667 0.25196 0. 82359 1 .38081 2810

2820 0.19163 0.67179 1 .26201 0. 22036 0.74568 1 .32299 0. 24994 0. 81870 1 .37736 IOTA 2820

O O 3 A 2a 3U r\ I o o o A 0 . 18994 r\ A A "T "a 1 0 . 66733 1 .25811 0. 21851 0. 74100 1 .31932 0. 24793 0. 81383 1 .37390 O Q O A 2o3U

2840 0. 18826 0.66289 1 .25422 0. 21667 0. 73636 1 .31565 0.24594 0. 80899 1 .37044 2840

2850 0.18660 0.65849 1 .25033 0. 21485 0. 73174 1 .31197 0. 24396 0. 80417 1 .36698 2850

2860 0.18495 0.65412 1 .24644 0.21304 0. 72715 1 .30830 0. 24201 0.79939 1 .36351 2860

2870 0. 18331 0.64978 1 .24255 0. 21125 0. 72259 1 .30462 0. 24007 0. 79464 1.36005 2870

2880 0.18170 0.64546 1 .23866 0. 20948 0. 71806 1 .30094 0. 23814 0. 78991 1 .35658 2880

2890 0.18009 0.64117 1 .23477 0.20772 0. 71355 1 .29727 0. 23624 0. 78522 1 .35311 2890

2900 0.17851 0.63692 1 .23088 0. 20598 0. 70908 1 .29359 0. 23434 0. 78055 1 .34964 2900

2910 0.17693 0.63269 1 .22699 0. 20425 0. 70463 1.28991 0. 23247 0.77591 1 .34617 2910

2920 0. 17537 0.62848 1 .22311 0.20254 0. 70021 1 .28624 0. 23061 0.77130 1 .34270 2920

2930 0.17383 0.62431 1 .21923 0. 20084 0.69582 1 .28256 0. 228 76 0.76671 1 .33922 2930

2940 0. 17230 0.62016 1 .21534 0. 19916 0.69146 1 .27888 0. 22694 0. 76216 1 .33575 2940

2950 0. 17078 0.61604 1 .21146 0. 19750 0. 68712 1 .27520 0. 22512 0. 75763 I .33227 2950

2960 0.16928 0.61195 1 .20758 0. 19584 0. 68281 1 .27152 0. 22333 0. 75312 1 .32879 2960

2970 0.16779 0.60788 1 .20370 0. 19420 0. 67853 1 .26785 0. 22154 0. 74865 1 .32531 2970 1 2980 0.16632 0.60384 1 . 19983 0. 19258 0. 67428 1 .26417 0. 21978 0. 74420 1 .32183 2980 1 2990 0. 16485 0.59983 1 . 19595 0. 19097 0. 67005 1 .26049 0. 21802 0. 73978 1 .31835 2990

3000 0. 16341 0.59584 1 . 19208 0.18938 0.66585 1 .25682 0. 21629 0. 73538 1 .31487 3000

3010 0. 16197 0.59188 1 .18821 0. 18780 0.66167 1 .25314 0. 21456 0. 73101 1 .31139 3010 1 3020 0. 16055 0.58795 1 .18434 0. 18623 0. 65752 1 .24946 0. 21286 0. 72667 1 .30791 3020 i 3030 0. 15914 0.58404 1 . 18048 0. 18467 0. 65339 1 .24579 0. 21116 0. 72235 1 .30443 3030 i 3040 0.15775 0.58015 1 .17661 0. 18313 0. 64930 1 .24211 0. 20948 0.71806 1 .30094 3040

1 3050 0. 15636 0.57630 1 . 17275 0. 18161 0. 64522 1 .23844 0. 20781 0. 71379 1 .29746

1 3050 ' 3060 0.15499 0.57246 I . 16889 0. 18009 0. 64117 1 .23477 0. 20616 0. 70955 1 .29398 3060 j 3070 0. 15363 0.56866 1 . 16503 0. 17859 0. 63715 1 .23110 0. 20452 0. 70533 1 .29049 3070 , 3080 0.15229 0.56487 1 .16118 0.17711 0. 63315 1 .22743 0. 20290 0. 70114 1 .28701 3080 ! 3090 0. 15095 0.56112 1 .15733 0. 17563 0. 62918 1.22376 0. 20129 0. 69698 1 .28353 3090 ,

170
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and *K)

V

-1 cm

(f°-e°)/t S° C°

P

-(F°-Eo)/t S° C°P •(f°-e°)/t s° COP cm

-1

T=1700. T=1800. T=1900.

3100 0 . 14963 0. 55738 1. 15348 0. 17417 0.62523 1 .22009 0. 19969 0. 69283 1 .28004 3100

3110 0 . 14832 0. 55367 1 . 14963 0. 17272 0. 62131 1 .21642 0. 19811 0. 68872 1 .27656 3110

3120 0 . 14703 054999 1.14579 0. 17129 0.61741 1 .21276 0. 19654 0. 68463 1 .27307 3120

3130 0. 14574 0. 54633 I . 14195 0. 16986 0.61354 1 .20909 0. 19498 0. 68056 1 .26959 31 30

3140 0.14447 0. 54269 1.13811 0. 16845 0.60968 1 .20543 0.19343 0. 67651 1 .26610 3140

3150 0 • 14320 0. 53908 1 . 13428 0. 16705 0.60586 1.20177 0. 19190 0 . 67249 1 .26262 3150

3160 0. 14195 0. 53549 1.1 3045 0. 16566 0. 60205 1 .19811 0. 19038 0. 66850 1 .25914 3 160

3170 0. 1407

0. 53193 1 . 12662 0. 16429 0» 59827 1. 19445 0. 18888 0 . 66452 1 .25565 3170

3180 0. 13948 0. 52838 1.12279 0. 16293 0. 59452 1 . 19079 0. 18738 0. 66057 1 .25217 3180

3190 0.13827 0. 52486 1.11897 0. 16158 0.59079 1 . 18714 0. 18590 0. 65665 1 .24869 3190

-J3P00\J \J 0. 52137 1.11515 0. 16024 0. 58708 1 . 18348 0. 18443 0 . 65275 1 .24521 3200

nW . 11 J^SR7 J O 1 0. 51789 1 111 "^4 0. 15891 \J 9 J \J J J ~ 1 . 17983 0. 18297 1.24173 ^? 1 0

3220 0- 13468 0. 51444 1 . 10753 0. 15759 0. 57972 1 .17618 0. 18153 0. 6450 1 1 .23825 3220

3230 0. 13351 0.51102 1 . 10372 0. 15629 0. 57608 1 . 17254 0. 18009 0. 641 17 1 .23477 3230

3240 0.13234 0. 50761 1.09992 0. 15499 0.57246 1 . 16889 0. 17867 0. 63736 1 ,23129 3240

3250 0.13119 0. 50423 1.09612 0. 15371 0. 56887 1 . 16525 0. 17726 0. 63357 1 .22781 3250

3260 0. 13005 0. 50086 1 . 09232 0. 15244 0. 56529 1 .16161 0. 17586 0. 6298

1 .22434 3260

3270 0.12892 0. 49752 1.08853 0. 15118 0. 56174 1 . 15797 0. 17448 0. 62606 1 .22086 3270

3280 0. 12779 0. 49421 1.08474 0. 14993 0. 55821 1 . 15433 0. 17310 0. 62234 1 .21739 3280

3290 0. 12668 0. 49091 1.08096 0. 14869 0.55470 1 .15070 0. 17174 0. 61864 1 .21391 3290

3300 0.12558 0.48764 1.07718 0.14746 0.55122 1 . 14707 0. 17039 0. 61496 I .21044 3300

3310 0. 12449 0. 48438 1.07340 0. 14624 0. 54775 1 . 14344 0. 16904 0. 61130 1 .20697 3310

3320 0.12340 0. 48115 1 . 06963 0. 14503 0. 54431 1 . 13982 0. 16771 0. 60767 1 .20350 3320

3330 0. 12233 0. 47794 1.06586 0. 14383 0. 54088 1 .13619 0. 16639 0. 60405 1 .20003 3330

3340 0.12127 0. 47475 1.06210 0.14265 0.53748 1 .13257 0. 16508 0. 60046 1 .19657 3340

3350 0. 12021 0.47158 1 . 05834 0. 14147 0. 53410 1 . 12896 0. 16379 0. 59689 1 . 19310 3350

3360 0.11917 0. 46843 1. 05459 0. 14030 0. 53074 1 . 12534 0. 16250 0. 59334 1 . 18964 3360

3370 0.11814 0. 46530 1.05084 0.13915 0. 52740 1 .12173 0. 16122 0. 58981 1 . 18618 3370

3380 0.11711 0. 46219 1 . 04709 0. 13800 0. 52409 1 .11812 0. 15996 0. 58630 1 .18271 3380

3390 0.11609 0. 45911 1.04335 0. 13686 0.52079 1 .11452 0. 15870 0. 58281 1 .17926 3390

3400 0. 11509 0. 45604 1.03962 0. 13573 0.51751 1. 11092 0. 15745 0. 57934 1 .17580 3400

3410 0. 1 1409 0.45299 1 . 03589 0. 13462 0. 51425 1 .10732 0. 15622 0. 57589 1 .17234 3410

3420 0. 11310 0. 44996 1 . 03216 0. 13351 0. 51 102 1 .10372 0. 15499 0.57246 1 .16889 3420

3430 0.11212 0. 44695 1 . 02844 0. 13241 0. 50780 1 .10013 0. 15378 0. 56906 1 .16544 3430

3440 0. 11115 0. 44396 1.02473 0. 13132 0. 50460 1.09654 0. 15257 0. 56567 1 .16199 3440

3450 0.11018 0.44100 1.02102 0. 13024 0. 50142 1 .09295 0. 15137 0. 56230 1 .15854 3450

3460 0. 10923 0. 43805 1.01731 0. 12917 0. 49826 1 .08937 0. 15019 0. 55895 1 .15510 3460

3470 0. 10828 0.43512 1.01361 0. 12810 0.49513 1 .08579 0. 14901 0. 55562 1 .15166 3470

3480 0. 10734 0. 43220 1.00992 0.12705 0.49201 1 .08222 0. 14784 0. 55231 1 .14822 3480

3490 0. 10642 0. 42931 1.00623 0. 12601 0.48891 1 .07865 0. 14669 0. 54902 1 .14478 3490

3500 0.10549 0. 42644 1.00254 0. 12497 0.48583 1 .07508 0. 14554 0. 54575 1 .14134 3500

3510 0.10458 0. 42358 0.99886 0. 12394 0.48276 1 .07151 0. 14440 0. 54250 1 .13791 3510

3520 0. 10368 0. 42075 0.99519 0. 12293 0.47972 1 .06795 0. 14327 0. 53927 1 .13448 3520

3530 0.10278 0. 41793 0.99152 0.12192 0.47670 1 .06440 0. 14215 0. 53606 1 .13105 3530

3540 0. 10189 0. 41513 0.98786 0. 12092 0.47369 1 .06085 0. 14104 0. 53286 1 .12762 3540

3550 0.10101 0. 41235 0.98420 0. 11992 0.47070 1 .05730 0. 13994 0. 52969 1 . 12420 3550

3560 0.10014 0. 40958 0.98055 0.11894 0.46773 1.05375 0. 13884 0. 52653 1 .12078 3560

3570 0.09927 0. 40684 0.97691 0. 11796 0.46478 1 .05021 0. 13776 0. 52339 1 .11736 3570

3580 0.09841 0. 40411 0.97327 0. 11700 0.46185 1 .04668 0. 13668 0. 52027 1 .11395 3580

3590 0.09756 0.40140 0.96964 0. 11604 0.45893 1 .04315 0. 13562 0. 51717 1 .11054 3590

171
V

-1 cm

Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

-(F°-Eg)/T so COP (f°-eo)/t 8° COP _(Fo_eo)/t S° COP cm

T-1 ^ 1 7nn T= 1 finn T= 1900.

3600 0.09672 0. 39871 0. 96601 0. 11509 0.45604 1. 03962 0. 13456 0. 51408 1.10713

\J » \J 7 J O 7 n J 7 O \J J nyj • 7 O £ J 7 0. 11414 \J m ^ J J L O 1X . u ^ O X w n 1 1 0. 51102 1 \V\'XT> ^ O £. V n\J m n9'>nfi \J y J \J \J n J ~ J _J o n 7 O 1 1 0. 11321 \j • t J \j j\j 1X . n\j .

\ ^ P47 0. 50797 11 m1\,\J\J nn ^Oc.9 3630 0.09424 0. 39074 0.\j . 7 ^ X U 0.11228 4474.'5 1X .. U £. 7 LI O f)\j . X -J X T J 0. 50494 J. • V ~ D 7^

3640 0

^ a o X X 9<S 7 1X O 0. 11136 vl . *T*T^O J 1X . \J C J J J n X1 -JWT ^04 X1 0. 50192

3650 0.09262 0. 38551 0. 94796 0. 11045 0.44182 1. 02205 0. 12939 0.49893 1.09013

-t \j \j \j n 09 1 R ? nu . zt o c ~ ^ n 7 t J 1 0. 10955 1X . n\j . 19 0-30

X ^ O ^ o 0. 49595 1 • UOO f J 0 no

n J O U 3 7*T U 1 O 0.10865 1X . \J Vj\JJ X ^ 1 3 o 0. 49299 1 • U O J ^ 7 w . w 7 W t *t n J 7779 f 1 1 7 n 7 J 1 t. VJ 0. 10776 U . ^ J D J \J 1. 01156 n X ^ O ^ 7 0. 49005 1 n70QA

Lf . ^ 7S1 J ^? 1/S n\j

7 3 J O J 0. 10688 U . "T J U 1 O 1. 00807 u .

1 9 S4 1 0. 48712 1 • \J 1 O 3 o

3700 0.08869 0. 37273 0. 93007 0. 10601 0.42803 1. 00459 0. 12443 0. 48421 1.07320

^73 r 1X nU n\j . J 1 J n 7 ^ O 17 X 0. 10514 n 4? I'A? 1. 00111 n 0.48132 L • U O 7 o ^ ^ 1 £.^J nU . Dfi UO 717 111 n A77A nu . ay7 OQK t t 7 3 0. 10428 0. 99764 n 1 £ ^ V u 0. 47844 1I • nAA^.A UOO*tO

•^7^0 u . u o o ^ ^ n I ASP A <31 Q4

7 X 7^ i 0. 10343 n 4 1 QQ

U . *T X 7 70 0. 99417 u • 1 ^ 1 ? 3 0. 47559 1 • UO J U

^7&n J f HU U . UO 17 O O f>u .

•5^

iO ^

O O

Q 1X n Q7 1X

<>J R7O 1 0. 10258 n 4 1 7 ^ n 0. 99071 nu •

11 ^UOU PHAH 0. 47274 1 • U3 7 f J

3750 0.08494 0. 36037 0. 91233 0. 10174 0.41466 0. 98725 0. 11966 0.46992 1.05637

3760 0.08421 0. 35794 0. 90881 0. 10091 0.41204 0. 98380 0. 11873 0. 46711 1.05301

3770 0.08348 0. 35553 0. 90529 0. 10009 0.40943 0.98035 0. 11781 0. 46432 1.04966

3780 0.08276 0. 35314 0. 90177 0. 09927 0.40684 0. 97691 0. 11690 0. 46154 1.04631

3790 0.08205 0. 35076 0. 89827 0. 09846 0.40426 0.97347 0. 11599 0.45878 1.04296

3800 0.08135 0. 34840 0. 89477 0. 09766 0.40170 0. 97004 0. 11509 0. 45604 1.03962

3810 0.08065 0. 34605 0. 89127 0. 09686 0.39916 0. 96661 0. 11419 0. 45331 1.03628

3820 0.07995 0. 34372 0, 88779 0. 09607 0.39663 0. 96319 0. 11331 0. 45060 1.03295

3830 0.07927 0. 34140 0. 88431 0. 09529 0.39411 0. 95977 0. 11243 0. 44790 1.02962

3840 0.07858 0. 33910 0. 88084 0.09451 0.39161 0. 95636 0. 11155 0. 44522 1.02629

3600

3610

3620

3630

3640

3650

3660

3670

3680

3690

3700

3710

3720

3730

3740

3750

3760

3770

3780

3790

3800

3810

3820

3830

3840

3850 0. 07791 0. 33682 0. 87737 0. 09374 0.38913 0. 95296 0. 11069 0. 44256 1. 02297 3850

3860 0. 07724 0.33454 0. 87391 0. 09298 0.38666 0. 94956 0. 10983 0. 43991 1. 01965 3860

3870 0. 07658 0. 33229 0. 87046 0. 09222 0.38421 0. 94616 0. 10898 0. 43727 1. 01634 3870

3880 0.07592 0. 33005 0. 86702 0. 09147 0.38177 0. 94277 0. 10813 0. 43465 1. 01303 3880

3890 0. 07527 0. 32782 0. 86358 0. 09072 0.37935 0. 93939 0. 10730 0. 43205 1. 00972 3890

3900 0. 07462 0. 32561 0. 86015 0. 08998 0.37694 0. 93601 0. 10646 0. 42946 1. 00642 3900

3910 0. 07398 0. 32341 0. 85673 0. 08925 0.37455 0. 93264 0. 10564 0. 42689 1.00312 3910

3920 0. 07334 0.32122 0. 85331 0. 08852 0.37217 0. 92927 0. 10482 0. 42433 0. 99983 3920

3930 0. 07271 0. 31905 0. 84991 0. 08780 0.36981 0. 92591 0. 10401 0. 42179 0. 99654 3930

3940 0. 07209 0. 31690 0. 84650 0. 08709 0.36746 0. 92256 0. 10320 0. 41926 0. 99326 3940

3950 0. 07147 0. 31476 0. 84311 0. 08638 0.36513 0. 91921 0. 10240 0.41675 0. 98998 3950

3960 0.07086 0. 31263 0. 83973 0. 08568 0.36281 0. 91587 0. 10161 0. 41425 0. 98671 3960

3970 0. 07025 0. 31052 0. 83635 0. 08498 0.36050 0.91253 0. 10083 0. 41176 0. 98344 3970

3980 0. 06965 0. 30842 0. 83298 0. 08429 0.35821 0. 90920 0. 10005 0. 40929 0. 98017 3980

3990 0. 06905 0.30633 0. 82961 0. 08360 0.35593 0. 90587 0. 09927 0. 40684 0. 97691 3990

4000 0. 06846 0. 30426 0. 82626 0. 08292 0.35367 0. 90255 0. 09850 0. 40440 0. 97365 4000

172
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

V -(F0-E°)/T S° C° -(Fo-Eo)/T S° eg -(po-Eg)/! S° cm

T= 2000. T= 2100. T= 2200.

100 5. 30113 7. 21768 1 .98631 5. 39472 7. 31459 1.98639 5. 48410 7. 40700 1 .98646 100

1 1 n 5. 11879 1 . n o o "2 "7 1 .98613 5. 21205 ~i

1 m

1

"7 c: o Q C

J • ^o 1 1 1 i ^ 7 9 1 7 Aft L

Oft A'^ 1 . 7 o O J 11 1 n 120 4. 95293 6. 85556 1 .98594 5. 04586 6. 95246 1.98605 5. 13464 7. 04485 1 .98615 120

130 4. 80091 6. 69661 1 .98572 4.89351 6. 79350 1.98586 4. 98199 6. 88588 1 .98597 130

140 4. 66068 6. 54946 1 .98549 4. 75295 6. 64634 1.98565 44 84113 6. 73871 1 .98578 140

150 4. 53060 6. 41248 1 .98524 4. 62254 6. 50935 1.98542 4. 71042 6. 60171 1 .98558 150

1 An 4.40937 o • 1 .98498 4. 50098 o . ^ . J O O J \J AO . ^7^^ S7 1L . 7 O J J\J 1 An

170 4. 29590 6. 16404 1 .98470 4.38719 6. 26088 1.98492 4. 47447 6. 35322 1 .98512 170

180 4. 18932 6. 05060 1.98440 4. 28028 6. 14743 1.98465 4. 36726 6. 23976 1 .98488 180

190 4. 08887 5. 94332 1 .98408 4. 17950 6. 04013 1.98437 4. 26619 6. 1 .98461 190

200 3. 99392 5. 84156 1 .98375 4. 08423 5. 93836 1.98406 4. 17062 6. 03066 1 .98434 200

3. 90394 cJ m 7 A A 7 o 1 .98339 3. 99392 KJ . OA 1 C A O ^ 1 P o X . 7 o ^ f ^ A^ . nnnn? J . ~ _J _> o -/ 1 ? 1 0

220 3. 81846 5. 65252 1 .98303 3. 90812 5. 74928 1.98341 3. 99392 5. 84156 1 .98375 220

230 3. 73708 5. 56438 1.98264 3. 82642 5. 66113 1.98306 3. 91193 5. 75339 1 .98343 230

240 3. 65945 5. 48001 1 .98224 3. 74847 5. 57673 1.98270 3. 83368 5. 66898 1 .98310 240

250 3. 58527 5. 39910 1 .98182 3. 67397 5. 49580 1.98232 3. 75889 5. 58803 1 .98275 250

^ O w 3. 51426 5. 32138 1i Q 1 • 70

3.60264 cD • *Ti ouo 1X • Q7 AO J.1 Q7 ^9 3 a O O 1 £ 1 •5 1 n?7 1 .98239

270 3. 44619 5. 24661 1 .98093 3. 53424 5. 34327 1.98151 3. 61858 5. 43547 1 .98201 270

280 3. 38083 5. 17458 1 .98046 3. 46857 5. 27122 1.98109 3. 55262 5. 36339 1 .98163 280

290 3. 31800 5. 10509 1 .97998 3.40542 5. 20171 1.98065 3. 48918 5. 29386 1 .98122 290

300 3. 25753 5.03797 1 .97947 3. 34463 5. 13457 1.98019 3. 42810 5. 22670 1.98081 300

3. 19926 4. 97307 1 .97895 3.28604 c;D • n A Q A A 1 Q7 Q7 9 i • 7 f >7 1 t

->^ • 5. 16176 1 .98038

320 3. 14304 4. 91025 1 .97842 3.22951 5. 00680 1.97923 3. 31241 5. 09889 1 .97993 320

330 3. 08877 4. 84938 1 .97786 3. 17492 4. 94590 1.97873 3. 25753 5. 03797 1 .97947 330

340 3.03630 4. 79034 1 .97729 3. 12215 4. 88684 1.97821 3. 20447 4. 97888 1 .97900 340

350 2. 98555 4.73304 1 .97670 3. 07108 4. 82950 1.97767 3. 15312 4.92153 1.97852 350

u u 2. 93642 4. 67736 1 .97610 3. 02163 A

•t • 771An I Q7 7 1 ^ 2

J . J. u ^ 4. 86580 1 .97802 '^An 370 2. 88881 4. 62322 1 .97548 2. 97371 4. 71963 1.97656 3. 05518 4. 81161 1 .97750 370

380 2. 84264 4. 57055 1 .97484 2. 92723 4. 66693 1.97598 3. 00842 4. 75888 1 .97697 380

390 2. 79784 4. 51926 1 .97419 2. 88212 4. 61561 1.97539 2. 96302 4. 70753 1 .97643 390

400 2. 75434 4. 46929 1 .97351 2. 83831 4. 56561 1.97478 2. 91893 4. 65750 1 .97588 400

A 1 n 2. 71207 4. 42056 1 .97283 2. 79574 A

*f • 3 1 OO D

1 07A 1 *i ^ . Q 7 A.r\7 4. 60872 1 .97531 A 1 n 420 2. 67098 4. 37303 1 .97212 2. 75434 4. 46929 1.97351 2. 83439 4. 56112 1 .97472 420

430 2. 63100 4. 32664 1 .97140 2. 71406 4. 42286 1.97286 2. 79383 4. 51466 1 .97413 430

440 2. 59209 4. 28132 1 .97066 2. 67484 4. 37751 1.97219 2. 75434 4. 46929 1 .97351 440

450 2. 55420 4. 23705 1 .96991 2.63665 4. 33320 1.97150 2. 71586 4. 42494 1.97289 450

*tOU 2. 51729 4. 19376 1 .96913 2. 59943 O Q Q Q "7 L . 7 1 UHU 2. 67836 4. 38159 1 .97225 A A.n 470 2.48130 4. 15142 1 .96835 2. 56314 4. 24750 1.97009 2. 64180 4. 33918 1 .97160 470

480 2. 44621 4. 10999 1 .96754 2. 52774 4. 20603 1.96936 2. 60612 4. 29768 1 .97093 480

490 2. 41196 4. 06942 1 .96672 2.49319 4. 16543 1.96861 2. 57130 4. 25705 1 .97025 490

500 2. 37854 4. 02970 1 .96588 2. 45947 4. 12566 1.96785 2. 53731 4. 21725 1 .96956 500

510 2. 34591 3. 99078 1 .96503 2. 42654 4. 08670 1.96707 2. 50410 4. 17825 1 .96885 510

520 2. 31403 3. 95263 1.96416 2. 39436 4. 04851 1.96628 2. 47164 4. 14003 1.96813 520

530 2. 28287 3. 91522 1 .96327 2. 36291 4. 01107 1.96548 2. 43992 4. 10255 1 .96739 530

540 2. 25242 3. 87854 1 .96237 2. 33215 3. 97434 1.96466 2.40889 4. 06578 1 .96664 540

550 2. 22264 3. 84254 1 .96145 2. 30208 3. 93829 1.96382 2. 37854 4. 02970 1.96588 550

560 2. 19351 3. 80720 1 .96051 2. 27265 3. 90292 1.96297 2. 34884 3. 99428 1.96511 560

570 2. 16500 3. 77251 1 .95956 2. 24384 3. 86818 1.96211 2. 31977 3. 95951 1 .96432 570

580 2. 13710 3. 73844 1 .95859 2. 21565 3. 83406 1.96123 2. 29130 3. 92535 1 .96351 580

590 2. 10977 3. 70497 1 .95760 2. 18803 3. 80055 1.96033 2. 26342 3. 89180 1 .96270 590

0°

p cm

1/-1

173
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

V

-1

cni

-(f°-e°)/t S° C°P -(F°-E°)/T

U S° n°

P

_ (F°-Eo)/T S° C°

P V

-1 cm

T= 2000. T = 2100. T = 2200.

Ann o u u 2 .08302 3. A 7 on

11

7 3 OOU C. m

11 AO nU 07 Ao

-3^ • f O 1 O i

11

c. .23609 3. Q C Q Q O 1.96187 Ann

ft! n 2 .05680 3. 1 7 J J J n c.J m1X "^^AT 3 "t 1 ^ • 7 -3 c p -> f J -J t ^

1L • qc o

c.J .20932 3. ftO C.9 AO ^ Q7 1 .96102 AO 11 nu A7n 2 .03111 3. An 7Q ^ 1i . ^ J ^ J J c. • J 0 7 n ^ "^Q

1 U 3 -J 7 1 qc 7 c t 7 J / u o C . 18307 3. 1 .96017 A 9 n

2 .00593 3. c; 7 A A « J 1 O D O 1 7 J ^ J U c • U O 3 V ^ A 7 707 1

i. . qc7 13 o

A Ano \J o .15733 3. 7 A'^ 1 A 1 .95930 A in

A4n 1 .98124 3. J J 7 J

1

1. . C m U J O *J *T o • AA 17 7 1 7 3 -JO J c~ . 13209 3. 7 7 'A 1 1 .95841

650 I .95703 3. 51567 1. 95135 2. 03353 3. 61095 1. 95465 2 .10732 3. 70195 1 .95751 650

660 I .93328 3. 48588 1. 95025 2. 00950 3. 58112 1. 95365 2 .08302 3. 67207 1 .95660 660

670 1 .90997 3. 45656 1. 94914 1. 98591 3. 55175 1. 95264 2 .05916 3. 64266 1 .95568 670

680 1 .88711 3. 42769 1. 94801 1. 96275 3. 52283 1. 95161 2 .03574 3. 61369 1 .95474 680

690 1 .86466 3. 39926 1. 94686 1. 94002 3. 49434 1. 95057 2 .01275 3. 58516 1 .95379 690

700 1 .84262 3 .37126 1 .94570 1 .91769 3. 46628 1 .94951 1 .99016 3 .55705 1 .95282 700

710 1 .82098 3 .34367 1 .94452 1 .89577 3.43864 1 .94844 1 .96797 3 .52936 1 .95185 710

720 1 .79972 3 .31648 1 .94333 1 .87423 3. 41139 1 .94736 1 .94618 3 .50207 1 .95086 720

730 1 .77884 3 .28968 1 .94212 1 .85306 3. 38454 I .94626 1 .92475 3 .47517 1 .94985 730

740 1 .75833 3.26327 1 . 94090 1 .83227 3. 35807 1 . 94514 1 . 90 369 3 .44864 1 . 94883 740

750 1 .73817 3 .23722 I .93966 1 .81182 3. 33197 1 .94402 1 .88299 3 .42249 1 .94780 750

760 1 .71835 3 .21154 1 .93840 1 .79173 3. 30623 1 .94287 1 .86264 3 .39670 1 .94676 760

770 1 .69887 3 .18621 1 .93713 I .77197 3. 28084 1 .94172 1 .84262 3 .37126 1 .94570 770

780 1 .67971 3 .16122 1 .93584 1 .75253 3. 25579 1 .94054 I .82293 3 .34616 1 .94463 780

790 1 .66088 3 .13657 1 .93454 1 .73342 3. 23108 1 .93936 1 .80356 3 . 32139 1 .94355 790

800 1.64235 3 .11224 1 .93322 1 .71461 3. 20669 1 .93816 1 .78450 3 .29695 1 .94245 800

810 1 .62413 3 .08824 1 .93188 1 .69611 3. 18262 1 .93694 1 .76575 3 .27283 1 .94134 810

820 1 .60620 3 .06454 1 .93053 1 .67791 3. 15886 1 .93572 1 .74729 3 .24902 1 .94022 820

830 1 .58856 3 .04115 1 .92917 1 .65999 3. 13540 1 .93447 1 .72912 3 .22550 1 .93909 830

840 1 .57119 3 .01805 1 .92779 1 .64235 3. 11224 1 .93322 1 .71123 3 .20229 I .93794 840

850 1 .55411 2 .99525 1 .92639 1 .62499 3. 08937 1 .93195 1 .69361 3 . 17936 1 .93678 850

860 1 .53728 2 .97272 1 .92498 1 .60789 3. 06678 1 .93066 1 .67627 3 .15672 1 .93560 860

870 1 .52072 2 .95048 1 .92355 1 .59106 3. 04447 1 .92936 1 .65918 3 . 13434 1 .93442 870

880 1 .50441 2 .92850 1 .92211 1 .57448 3. 02243 1 .92805 1 .64235 3 .11224 1 .93322 880

890 1 .48835 2 .90679 1 .92065 1 .55815 3. 00065 1 .92672 1 .62577 3 .09041 1 .93200 890

900 1 .47254 2 .88534 1 .91918 I .54206 2. 97913 1 .92538 1 .60944 3 .06883 1 .93078 900

910 1 .45696 2 . 86414 1 .91769 1 .52621 2. 95786 1 . 92403 1 .59334 3 .04750 1 .92954 910

920 1 .44161 2 .84319 1 .91619 1 .51060 2. 93684 1 .92266 1 .57748 3 .02642 1 .92829 920

930 1 .42649 2 .82248 1 .91468 1.49521 2. 91606 1 .92128 1 .56184 3 .00558 1 .92703 930

940 1 .41158 2 .80201 1 .91314 1 .48004 2. 89552 1 .91988 1 .54643 2 .98497 1 .92575 940

950 1 . 39690 2 .78178 1 .91160 1 .46509 2. 87521 1 .91848 1 .53123 2 .96460 1 .92446 950

960 1 .38243 2 .76177 1 .91003 1 .45035 2. 85513 1 .91705 1 .51625 2 .94446 1 .92316 960

970 1 .36816 2 .74198 1 .90846 1 .43582 2. 83527 1 .91562 1 .50148 2.92453 1 .92185 970

980 1 .35410 2 .72242 1 .90687 1.42149 2. 81563 1 .91417 1 .48691 2 .90483 1 .92052 980

990 1 .34024 2 .70306 1 .90526 1.40737 2. 79621 1 .91270 1.47254 2 .88534 1 .91918 990

1000 1 .32657 2. 68392 1. 90364 1 .39344 2. 77699 1. 91123 I. 45836 2. 86606 1 .91783 1000

1010 1 .31309 2.66499 1. 90200 1 .37969 2. 75798 1. 90974 1. 44438 2. 84698 1 .91647 1010

1020 1 .29980 2. 64626 1. 90035 1 .36614 2. 73917 1. 90823 1. 43059 2. 82811 1 .91509 1020

1030 1 .28669 2. 62773 1. 89869 1 .35277 2. 72056 1. 90671 1.41698 2. 80943 1 .91370 1030

1040 1 .27375 2. 60939 1. 89701 1 .33958 2. 70215 1. 90518 1. 40355 2. 79095 1 .91230 1040

1050 1 .26100 2. 59125 1. 89532 1 .32657 2. 68392 1. 90364 1. 39030 2. 77265 1 .91089 1050

1060 1 .24842 2. 57329 1. 89361 1 .31373 2. 66589 1. 90208 1. 37722 2. 75455 1 .90946 1060

1070 1 .23600 2. 55552 1. 89189 1 .30105 2. 64804 1. 90051 1. 36431 2. 73662 1 .90803 1070

1080 1 .22375 2. 53792 1. 89015 1 .28855 2. 63036 1. 89893 1. 35156 2. 71888 1 .90658 1080

1090 1 .21166 2. 52051 1. 88840 1 .27620 2. 61287 1. 89733 1. 33899 2. 70132 1 .90511 1090

174
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

V -(f°-eo)/t s° c° -(f°-e°)/t s° c° -(fo-eo)/t s°

u P

t' 0 cm

T =2000. T =2100. T=2200.

1100 1 . 19973 2 .50327 1 .88664 1.26402 2 . 59555 1 .89572 1.32657 2.68392 1 .90364 1100

1110 1 . 18796 2 . 48621 1 . 88486 1 . 25199 2 . 57840 I . 89410 1.31431 2.66670 1 .90215 1110

1120 1 .17634 2 .46931 1 .88307 1.24012 2 .56142 1 .89246 1.30220 2.64965 1 .90066 1120

1130 1 . 16487 2 .45258 1 .88126 1.22840 2 . 54460 1 .89082 1.29024 2.63276 1 .89915 1130

1140 1 .15355 2 .43601 1 .87944 1.21682 2 .52795 1 . 88915 1.27844 2.61604 1 . 89762 1140

1150 1 . 14237 2 .41961 1 .87760 1.20539 2 .51146 1 . 88748 1 .26678 2.59947 1 .89609 1 150

1160 1 .13134 2 .40336 1 .87576 1.19411 2 .49513 1 .88579 1.25526 2.58306 1 .89454 1160

1170 1 . 12044 2 .38727 1 .87389 1.18296 2 .47895 1 .88409 1.24388 2.56680 1 .89299 1170

1180 1 . 10968 2 .37133 1 . 87202 1.17195 2 .46292 1 .88238 1 .23264 2. 55070 1 .89142 1 180

1190 1 .09905 2 .35554 1 . 87013 1 . 16108 2 .44704 1 . 88065 1.22154 2. 53475 1 .88984 1190

1200 1 .08856 2 .33989 1 . 86822 1. 15034 2 .43131 1 . 87892 1.21057 2. 51894 1 . 88824 1200

1210 1 .07820 2 .32440 1 .86631 1.13973 2 .41572 1 .87717 1.19973 2.50327 1 .88664 1210

1220 1 .06796 2 .30905 1 . 86438 1.12925 2 .40028 1 .87540 1. 18902 2.48775 1 .88502 1220

1230 1 ,05785 2 . 29383 1 . 86243 1. 1 1889 2.38498 1 . 87363 1. 17844 2.47237 1 .88339 1230

1240 1 .04786 2 .27876 1 . 86048 1. 10866 2 .36982 1 .87184 1. 16798 2. 457 I 3 1 .88175 1240

1250 1 .03800 2 .26383 1 .85850 1.09855 2 .35479 1 .87004 1. 15765 2-44202 1 .88010 1250

1260 1 .02825 2 .24902 1 .85652 1.08856 2 . 33989 1 .86822 1. 14743 2.42705 1 .87844 1260

1270 1.01862 2 .23436 1 .85452 1.07869 2 .32513 1 .86640 1.13734 2.41220 1 .87677 1270

1280 1 .00910 2 . 2 1982 1 . 85251 1. 06893 2 .31050 1 .86456 1. 12736 2. 39749 1 .87508 1280

1290 0 .99970 2 .20541 1 . 85049 1.05929 2 .29600 1 . 86271 1. 11749 2.38290 1 . 87338 1290

1300 0 .99041 2 . 19113 1 . 84845 1 . 04976 2 .28162 1 . 86085 I. 10774 2. 36844 1 .87167 1300

1310 0.98123 2 .17697 1 .84640 1.04034 2 .26737 1 .85898 1.09809 2.35411 1 .86996 1310

1320 0 .97215 2 . 16294 1 .84434 1.03102 2 .25324 1 . 85709 1.08856 2.33989 1 .86822 1320

1330 0 .96319 2 .14903 1 . 84227 1.02182 2.23923 1 .85519 1.07913 2. 32580 1 .86648 1330

1340 0 .95432 2 .13524 1 .84018 1.01272 2 .22534 1 .85328 1.06981 2.31183 1 . 86473 1340

1350 0.94556 2 .12156 1 .83808 1.00372 2 .21157 1 .85136 1. 06060 2. 29797 1 . 86296 1350

1360 0 .93690 2 .10800 I .83596 0.99482 2 .19791 1 .84942 1.05148 2.28423 1 .86119 1360

1370 0 .92834 2 .09456 1 .83384 0.98602 2 .18437 1 .84748 1.04247 2.27060 1 .85940 1370

1380 0 .91987 2 .08123 1 .83170 0.97733 2 .17094 1 .84552 1.03355 2.25708 1 .85760 1380

1390 0.91150 2 .06801 1 .82955 0.96872 2 . 15762 1.84355 1.02473 2.24368 1 .85580 1390

1400 0 .90323 2 .05491 1 .82738 0.96022 2 . 14442 1 .84157 1.01601 2.23038 1 .85398 1400

1410 0 .89505 2 .04191 1 .82520 0.95181 2. 13132 1 .83958 1.00739 2.21719 1 .85215 1410

1420 0 .88696 2 .02902 1 .82302 0.94349 2 .11832 1 .83757 0.99885 2.20411 1 .85031 1420

1430 0 .87897 2 .01623 1 .82081 0.93526 2 . 10543 1 .83556 0.99041 2.19113 1 .84845 1430

1440 0 .87106 2 .00355 1 .81860 0.92712 2.09265 1 .83353 0.98206 2.17825 1 .84659 1440

1450 0 .86324 1 .99097 1 .81638 0.91907 2 .07997 1 .83149 0.97380 2. 16548 1 .84472 1450

1460 0 .85550 1 .97850 1 .81414 0.91111 2 .06739 1 .82944 0.96562 2. 15281 1 .84283 1460

1470 0 .84785 1 .96612 1 .81189 0.90323 2 .05491 1 .82738 0.95753 2. 14024 1 .84094 1470

1480 0 .84029 1 .95384 1 . 80963 0.89544 2 .04252 1 .82531 0.94953 2.12776 1 .83903 1480

1490 0 .83280 1 .94167 1 .80735 0.88773 2 .03024 I .82322 0.94161 2. 11538 1 .83712 1490

1500 0 .82540 1 .92958 1 .80507 0.88010 2.01805 1 .82113 0.93377 2.10310 1 .83519 1500

1510 0 .81808 1 .91760 1 .80277 0.87256 2 .00596 1 .81902 0.92602 2.09091 1 .83325 1510

1520 0 .81084 1 .90571 1 .80046 0.86509 1 .99396 1 .81691 0.91834 2.07882 1 .83131 1520

1530 0 .80367 1 .89391 1 .79814 0.85770 1 .98205 1 .81478 0.91075 2.06682 1 .82935 1530

1540 0 .79659 1 .88220 1 .79581 0.85039 1 .97024 1 .81264 0.90323 2.05491 1 .82738 1540

1550 0 .78958 1 .87059 1 .79346 0.84316 1 .95851 1 .81049 0.89579 2.04309 1 .82540 1550

1560 0.78264 1 .85906 1 .79111 0.83600 1 .94687 1 .80833 0.88843 2.03135 1 .82341 1560

1570 0 .77578 1 .84762 1 .78874 0.82892 1 .93533 1 .80616 0.88114 2.01971 1 .82142 1570

1580 0.76898 1 .83627 1 .78636 0.82191 I .92387 I .80398 0.87392 2.00815 1 .81941 1580

1590 0 .76226 1 .82501 1. 78398 0.81497 1 .91249 1 .80178 0.86678 1.99668 1 .81739 1590

c°

p

cm

175
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

V -(F°-E°)/T so C° -(F0-E°)/T S° CO -(F°-Eo)/t So

u p U p 0 cm

T1 c. u u u . T =2100. T— p 9 nn

1600 0. 75562 1 .81383 1 .78157 0.80810 1 .90120 1 .79958 0.85971 1.98529 1 .81536 1600

I1 1 . 77Q f 17X01 A n Am "KCi 1 .89000 11 n ft R 97 1 i

1 • Q77 1 ^QO J 7 7 1 .81332 1 A 1 n 1620 0. 74253 1L .79173 1X . 77674 . t T ^ J 0 1 .87387 1X . 7QS 1 7 J 1X 4 1J. • QA97A 7 0 ^ 10 1 .81127

1630 0. 73608 1 • t \J \J \J \J 1X 774"^! n 7a7<3? 1 .86783 1L . 7<3 1 7 ?<3n 7 u 1X • 7 9 11 A90 il 1 .80921 X 0 9U

1640 0. 72971 1X . 76996 1X . 77f 1 1X ft0 AD n 7ft 1 ^

1 .85687 I .79066 a ft 9

1 • 7 *tU 9 0 1 .80715 1 otu

1650 0. 72340 1 .75920 1 . 76941 0.77480 1.84600 1 .78840 0.82540 1.92958 1 .80507 1650

1660 0. 71715 1X . f ^ O X

1X • 761007^ 1 .83520 1 .78614 n ft 1 fl74 1 Q I fl A ft X . 7 X 0 0 0 1.80298 1X AAn 0 OU

1670 0. 71097 1X • 7^791 1X , 76446 V/ . f 0 X 7 ^ 1 .82448 1 .78386 n ft 1 ? 1 •> X . 7 U 1 0 0 1 .80088 1 A7n

1680 0. 70485 1 .72 738 1 .76197 0 . 75562 1 .81383 1 .78157 n . RO S6? 1 .Rq7i

X . 0 7 f L 1 .79877 1 AAD

0. 69880 1X .71 . 1 X 693 U 7 J

1X . ( J 7 T 0 f) 74Q^S 1.80327 1 .77928 l> . 1 7 7 X D 1X . ftnA4S 000^^ 1 .79666 ^X Aon 0 7 u

1700 0. 69280 1 .70656 1 .75697 0.74314 1 . 79278 1 .77697 0.79275 1.87585 1 .79453 1700

1710 0.68687 1 .69626 1L 7«;44R 1 .78236 1 .77465 n 7ftA4i 1 ftA't^4 1 .79240 1X 7f 1X nU

1720 0. 68100 1 .68604 I .75192 0 .73092 1 .77202 1 .77233 n 7Rn 1 1X . KS4RQ 0 ^ 0 7 1 .79025 1 7?n

1730 0. 67518 1 .67589 \ . 74938 0.72489 I .76175 1.76999 n . 7 7 ^<5? 1 A44S? 1 .78810 1 7'^n 1740 0.66943 1 .66581 \ . 74683 0. 71893 1 .75156 . 76765 0.76776 1 . 83422 1.78593 1740

1750 0. 66373 1 .65581 1 .74427 0.71302 1.74143 1 .76529 0.76166 1.82399 1 .78376 1750

1760 0. 65809 1 .64588 \ .74169 0.7071

1 .73138 . 76292 0. 75562 1 . fi 1 3R3 1 .78157 1760

1770 0. 65251 1 .63602 1X .7391. J 7 X X 1 .72140 1X 76055 n\J 9 74<)ft'^ 1 ^ 7 U J X1 . ftn'^74 0 U ,7 1 1 .77938 1X 770 f f u 1780 0. 64698 1 .62623 1X - 7365? \J m \J ^ J \J J 1 .71149 1X 75R1 6 n. 74'^7n 1X . 7Q'^7'i 1 7 D 1 J 1 .77718 1 7fln 1790 0. 64150 1 .61651 . 73392 0 .68997 1 .70164 1X 7S577 0. 73783 1 . 78378 1 .77497 1790

1800 0. 63608 1.60685 1 .73131 0.68435 1 .69187 1 .75336 0.73202 1. 77389 1.77275 1800

1810 0. 63072 1 .59727 1X . 72 869 n. 67ft7fl 1 .68216 1X . 1 J \J 7 J 0. 7?6?6 1 764nfl 1 .77052 1 R 1 0

A O ^ \J 0. 62540 1 .58775 X1 n . ft7'^ ?6 1 .67252 1L 740c :» . 1 1 0 J J X . 1 J ^ J ^ 1 .76829 1820

i. vJ J \y 0. 62014 1 .57830 1X . 7? 34? n. 66779 1 .66295 1X 74A1 n n.yj m 711 X 4qn ^ 7 w 1.74465 1 .76604 1830

1840 0. 61493 1 .56892 1X .72077 0.66?3fl 1 .65344 1X 0.709^0 \j 9 1 yj 7 J \j 1 . 7350 3 1 .76379 1840

1850 0. 60977 1 .55960 1 .71811 0.65702 1 .64399 1 .74120 0.70375 1.72547 1 .76152 1850

1860 0. 60466 1 .55034 1X .71 S44 0.65171 1 .63461 1 .73874 n.69fl?5 \J 9 U 7 0 C. ^ X1 .71 . 1 X sqfl 7 u 1 .75925 1860

i O 1 u 0. 59960 1 .54115 1X 7 1 ?7A w . 0 ^ 0 ^ ^ 1 .62530 1 .73628 n ^Q9ftn 1 7nA'iA 1 .75697 X 0 f u

X o o u 0. 59459 1 .53202 1X 71 nnfi n A4 1 ?4 1 .61604 1 .73380 • U 0 1 *T X 1 AQ7 1 <} X . 7 f X 7 1 .75468 1880

0.58963 1 .52296 1X 707 ^ Q \J . 0 J7 0 U 0 1 .60685 1 .73131 • 0 0 ^ vj 0 1X . Aft7ftQ 0 0 1 0 7 1 .75238 1X AQO 0 7 U

1900 0. 58471 1 .51396 1 .70467 0.63097 1 .59772 1 .72882 1.67865 1 .75007 1900

11 QV1 ni u 0.57985 1 .50501 1i 70 1 OA n A 9 c: Q 1 1 .58866 1 .72631 n A 7 1 m X1 • AAQA.7 00 7*t f 1 .74776 X 7 X u 0. 57503 1 .49613 AQ Q 0 a n A 9 n ft Q 1.57965 1 .72380 n A A A ^ 1 1 AAn'i<\ 1 • OOU 9 9 1 .74543 X 7£U

0. 57025 1 .48731 1i AQ A <^ n n A 1 <\ Q 9 1 .57070 1 .72128 n A A 1 1 A 11 • Am0 9 1 ^9 07 1 .74310 X 7 0. 56552 1.47855 /L Q 3 7 A n A 1 noQ 1.56181 1 .71874 AU« A030U9 *\ An ^ 1 A A. 9 9 R 1 .74076 1X Q4n 7*TU

1950 0. 56084 1 .46985 1 .69101 0,60612 1 .55298 I .71621 0.65099 1.63334 1 .73841 1950

0.55620 1 .46121 L

/L Q p 0 e: n Ari 1 9 P 1 .54421 1 .71366 r\ AA. c« Q

1

1 • A94^.^ 0^ *tH 9 1 .73605 X

1 QAn 70\J

1 7 / u 0. 55160 1 .45262 11 1 .53549 1 .71110 azl 1 n 1 1 A 1 A'^ 1 • 0 i 9 0 3 1.73368 1 Q7CI

1 ann 0. 54705 1 .44410 1I A Q 9 7 n « 0 Oil r U n c: Q 1 7*^ 1 .52684 1 .70854 n A An ft 1X • AnAftK QUO 0 9 1 .73131 X

1 QRO 7

1, 7^

0.54254 1 .43563 11 A7QQ 9 nu • ^ft7n*^ 3 0 f u 5 I .51824 1 .70596 u • 0 ^ X ^ u 1 <^Qft 1 4-X. • J 7 0 L*T 1 .72893 X 7 7 U

2000 0. 53808 I .42721 1 .67713 0.58239 1 .50969 1 .70338 0.62636 1.58948 1 .72654 2000

2010 0. 53365 1 .41886 1 .67432 0.57778 1 .50120 1 .70079 0.62157 1.58087 1 .72414 2010

2020 0. 52927 1 .41055 1 .67151 0.57320 1 .49277 1 .69819 0.61682 1.57232 I .72173 2020

2030 0. 52493 1 .40231 1 .66869 0.56867 1 .48439 1 .69559 0.61211 1.56382 1.71932 2030

2040 0. 52062 1 .39411 1 .66587 0.56418 1 .47606 1 .69298 0.60744 1.55538 1 .71690 2040

2050 0. 51636 1 .38597 1 .66303 0.55973 1 .46779 1 .69035 0.60282 1.54699 1 .71447 2050

2060 0. 51214 1 .37789 1 .66019 0.55532 1 .45957 1 .68772 0.59823 1.53866 1 .71203 2060

2070 0. 50796 1 .36986 1 .65734 0.55095 1 .45140 1 .68509 0.59369 1.53I)'37 1 .70959 2070

2080 0. 50381 1 .36188 1 .65448 0.54662 1 .44329 1 .68244 0.58918 1.52214 1 .70713 2080

2090 0. 49971 1 .35395 1 .65161 0.54233 1 .43523 1 .67979 0.58471 1.51396 1 .70467 2090

c°

p -1 cm

176
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

V -(F°-Eo)/T so C° -(FO-Eo)/T so C° -(F°-Eo)/t S°

cm

^

T =2000. 1 — O 1 A A T =2200.

2100 0. 49564 1 .34607 1 .64874 0.53808 I .42721 1 .67713 0. 58029 1 .50582 1 .70221 2100

2110 0. 49161 1 .33824 1 .64585 0.53386 1 .41925 1 .67446 0. 57590 1 .49774 1 .69973 2110

U •

J. O "7 £^ T 1 .33047 1 ^ A Q C r\ Q 9 Q A Q i A 1 1 1 A . H i 1 ^H 11 A 7 1 7 ft U . 1 ,48971 1i A Q7 9 *i 9 1 9A

r\U • A Q 1 £^ HO DOO 1 .32275 J. A A nr^ A U

jOH 1 A A ^ A ft . HU dHo 1 .66910 nu • OOA71 C.H 9 A 1.48173 11 • AQO 7 A7H ( AO

u • 1 .31507 1i A"^7 1 A n <\ 9 1 AA L • 5 Q7 U AO 71 1 .66641 Au • I> O t 7 O 1 .47380 1i AQ 9 9 A £i9 1LH\J AO

2150 0. 47585 I .30744 1 .63425 0.51737 1 .38791 1 .66371 0. 55873 1 .46592 1 .68976 2150

2160 0. 47200 1 .29987 1 .63133 0.51334 1 .38019 1 .66100 0. 55452 1 .45808 1 .68724 2160

U • AHOA P 1 fl O 1 O 1.29234 11 • A90<L ftOHUAH U • ^ U 7 J 9

1 1 .65829 AU . J J\J JO 1 .45029 11 . O O f J 7 1 7f> nu • A*fOA A*f AH nVJ I . 28486 1i A 0 A 7 U • P U 3 J 7

1 A AQ 1 . jO H 7 i 1 .65557 nU . C A A O -5 J *T O ^ J 1 .44255 1 A O O p A 7 1 fin

r\u • AHOUA n A A O O I11 A 9 O R 9 n 1 A

U . 1 *to 1L m JJ^ 71 JHA 1 .65284 AKJ » C A 9 1 A 1 .43486 1X .Of 70 1 7 1 <3n

2200 0. 45694 1

J. 1 .61957 0.49757 1 .34982 1 .65011 0. 53808 1.42721 1 .67713 2200

2210 0. 45326 1 .26270 1 .61662 0.49371 1 .34234 1.64736 0. 53405 1 . 4196 I 1 .67458 2210

U • AAQ A 9 1 .25541 1I A 1 H A A C\ A ft Q ft Q U • H O 7 O V 1 .33491 1 .64462 A c -a n n A 1X • ^ L C. VJ O i A79 A9 9 9 9 n

U • AA A f) n 1

1. . 7 A.O 1 7 11 A 1 n A Q n Aft A 1 n 1 .32752 1 .64186 AKJ .

*^ 9 A 1 1 1 ,40455 1 .66946 9 9 "^n

L.L, 9 A ? H*T ^ f t

1L . t T V/ 7 1 1 AH 7 7 1 • OU 111 U • *tO t OH 1 .32018 1 .63910 AU . > 9 1 ft 1 ,39709 1 .66690 9 9 AO

2250 0. 43887 1 * £. J J O L 1 .60473 0.47862 1 .31289 1 .63633 0. 51829 1X , "^80^7 J O 7 O 1 1 .66432 2250

2260 0. 43536 1 .22670 1 .60174 0.47493 1 .30564 1 .63355 0. 51444 1L • J O C. £. 7 1 .66174 2260

WW 9.1 1 .21964 L C Q Q 7 A n A7 1 9 7 1 .29843 1 .63077 A\J . ^9 1 OA 1 1 UO 1

1 1 .65915 777n

7?ftn Ap ft A 9 11 7 1 7A 7 11 CQC 7A nU . AA7AA *tO r OH 1 .29127 1 .62798 AKJ . SO Aft 9 1 .36767 1 .65656

77Q0 nU • A 9 AQ Q 1 .20564 1 • D y ^ Id U

A • AAAHA HO H UH 1.28415 1 .62519 ou . 9 U 3 u o 1 .36043 1 .65396 7 7Qn

2300 0. 42160 1 .19870 1 .58971 0.46048 1 .27707 1 .62238 0. 49933 11 • J D J £. J 1 .65135 2300

2310 0. 41823 1 .19181 1 .58669 0.45694 1 .27004 1 .61957 0. 49564 1 .34607 1.64874 2310

7 7ri U • A 1 Aon 1 .18497 1 c Q a A A r\U • AH

*^D 1JHHA A 1 .26305 1 .61676 nU • AOH 7

1t Q77 f 1 .33895 1 .64612 C. D CV

C.J OKI n AH 1 1 A n I 1 OU 1 . 17816 1 c o n A "a AU AAQOA

HH 7 Vo 1 .25610 1.61394 r\U • A ft ft HO "2 A O ^H 1 .33188 1 .64349 ^

o j9Uin

nu • AH ft H O 1 .17140 1 7 7 1; o r\ A A A 9 U « HHOD^ 1 .24920 1 .61111 r\U • A Q A 7 "3 HoH t O 1 .32485 1 .64086 9 "AAA £.DHU

2350 0. 40507 1 .16468 1 .57454 0.44310 1 .24233 1 .60828 0. 48116 1 .31786 1 ,63822 2350

2360 0. 40186 1 .15800 1 .57149 0.43972 1 ,23551 1 .60544 0. 47761 1 .31090 1 ,63557 2360

U • "^Q Q A 7 J 7 OO f 1 .15136 1i A Q A "2 1 .22873 1.60259 0. 47409 1 .30399 1 .63292 3 ^ 7 A

^ ^ o u PiU • 3 Q C (T f\ 1 .14476 11 R A ^ 7 rt A 1 1 n ^ U . J J U 3 1 .22199 1 .59974 0. 47061 1 .29712 I .63026 9 "a Q A ^ 3 oU

7'^qn nU • 1 .13821 1i A o ^ n 1 .21528 1 .59688 0. 46715 1 .29029 1 .62760 •> "a Q A

2400 0. 38926 1 .13169 I .55922 0.42646 1 .20862 1 .59402 0. 46372 I .28350 1 .62493 2400

2410 0. 38618 1 .12521 1 . 55614 0.42321 1 .20200 1 .59115 0. 46032 1 .27675 1.62226 2410

U • 1 .11878 1 a "y r\ c 1 .19542 1 .58828 0. 45694 1 .27004 1 .61957 O A A

U • 1 .11238 i . oHy?

1 .18887 1 .58540 0.45360 1 ,26337 1 .61689 9 A 1

U • -3*1 lU 1 . 10602 1 C A O ~7 . D46o 1

f\ A 1 1 A A 0.41 364 1 .18237 1 .58251 0. 45028 1 .25673 1 .61420 1 / A A 2440

2450 0. 37413 1 .09970 1 .54377 0.41050 1 .17590 1 .57962 0. 44699 1 .25014 1 .61150 2450

2460 0. 37118 1.09342 1 .54066 0.40739 1 . 16947 I .57672 0. 44372 1 .24358 1 .60879 2460

U • ^OA ft 7 A O 1 .08717 1 K ^ 7 c r\ A A A ^ A UhUh3U 1 .16308 1 .57382 0. 44048 1 .23706 I .60608 O A T A <:4 1

U •

11 A T A :50 D 3o 1.08097 11 A A A 1 O C 0 . 4U 1 ilD 1 .15673 1 .57091 0. 43727 1 .23057 1 .60337 O A O A Z480

U •

"2 A 9 A Q 1 .07480 1 . D3130 A ^ A O O 1 0 .398^

1 .15042 1 .56800 0. 43409 1 .22413 1.60065 1 A A A 2490

U • O A A 1 .06867 11 c o Q 1 Q • D^ O 1

A "a A C O A 1 .14414 1 .56508 0. 43093 1 .21772 1 .59792 O C A A 2500

2510 0. 35681 1 .06257 1 .52504 0.39222 1 .13789 1 .56215 0. ^2179 1 .21134 1 .59519 2510

2520 0. 35401 1 .05651 1 .52191 0.38926 1 . 13169 1 .55922 0. 42468 1.20501 1 .59246 2520

2530 0. 35124 1 .05049 1 .51876 0.38633 1 .12552 1 .55629 0. 42160 1 . 19870 1 .58971 2530

2540 0. 34848 1 .04451 1 .51562 0.38342 1 .11939 1 .55335 0. 41854 1 .19244 1 .58697 2540

2550 0. 34576 1 .03856 1 .51247 0.38053 1 .11329 1 .55041 0. 41550 1 .18621 1 .58422 2550

2560 0. 34305 1 .03265 1 .50931 0.37767 1 . 10723 1 .54746 0. 41249 1 . 18001 1 .58146 2560

2570 0..34037 1 .02677 1 .50615 0.37483 1 .10120 I .54451 0. 40951 1 .17385 1 .57870 2570

2580 0. 33771 1 .02092 1 .50298 0.37202 1 .09521 1 .54155 0. 40655 1 .16773 1 .57593 2580

2590 0..33507 1.01512 1 .49981 0.36923 1 .08925 1 .53858 0. 40361 1 .16164 1 .57316 2590

177

COP

1/-1 cm
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

V -(f°-e°)/t s° c° -(f°-e°)/t s° eg -(f°-eo)/t S° C° V

cm""'" cm

T=2000. T =2100. T =2200

2600 0 .33246 1 .00934 1 .49664 0 . 36646 1 .08333 1 .53562 0.40069 1 .15558 1.57038 2600

26 10 0 . 329«7 1 . 00360 1 . 49346 0.36371 I . 07 744 1 . 53264 0. 39780 . 14956 1 . 56760 26 10

2620 0 .32729 0 .99790 1 . 49028 0 .36099 1 .07158 1 . 52967 0. 3949 3 1 . 14357 1 . 56481 2620

2630 0 . 32475 0 .99223 I . 48709 0 . 35829 1 . 06576 1 . 52669 0.39209 1 . 1 376 1 1 .56202 2630

2640 0 . 32222 0 .98659 I .48390 0 .35561 1 .05997 1 . 52370 0.38926 1 .13169 1 . 55922 2640

2650 0 .31971 0 .98099 1 .48071 0 . 35295 1 .05422 1 .52071 0.38646 1 .12580 1.55642 2650

2660 0 .31723 0 .97541 1 .47751 0 .35032 1 . 04849 1 .51772 0. 38368 1 . 11994 1 .55362 2660

2670 0 . 31476 0 . 96988 1 . 4743 I 0 .34770 1 . 04281 1 .51472 0.38092 1 .11412 1 .55081 2670

2680 0 .31232 0 . 96437 I .4711

0 . 34511 . 03711 .51171 0.37819 1 . 10833 1 . 54800 2680

Z690 0 . 30990 0 .95890 1 .46790 0 . 34254 1 .03152 1 . 50871 0. 37548 1 .10257 1 . 54518 2690

2700 0 .30750 0 .95346 I .46468 0 .33999 1 .02593 1 .50570 0.37278 1 ,09684 1.54235 2700

2710 0 .30511 0 .94805 1 .46147 0 .33746 1 .02037 1 .50268 0.37011 1 .09114 1 .53953 2710

2720 0 .30275 0 .94267 1 -45825 0 .33495 1 .01484 1 .49966 0.36746 1 . 08548 1 . 53670 2720

2730 0 . 3004 1 0 .93733 1 . 45503 0 .33246 1 .00934 I .49664 0. 36483 1 . 07984 1.53386 2730

2740 0 .29808 0 .9320 I 1 .45180 0 . 32999 1 .00388 1 .49361 0. 36222 .07424 1.53102 2740

2750 0 .29578 0 .92673 1 .44857 0 .32754 0 . 99344 1 .49058 0.35964 1 .06867 1.52818 2750

2760 0 .29350 0 .92148 1 . 44534 0 .32511 0 .99304 1 .48755 0. 35707 1 .06312 1 . 52533 2760

2770 0 •29123 0 .91626 1 .44210 0 .32270 0 .98766 1 .48451 0. 3545? 1 .05761 1 .52248 2770

2780 0 .28898 0 .91106 I . 43886 0 .32031 0.98232 1.48147 0.35199 I .05213 1.51962 2780

2790 0 .28675 0 .90590 1 . 43562 0 .31794 0 .97700 1 .47843 0. 34948 1 .04668 1 .51676 2790

2800 0 .28454 0 .90077 1 .43238 0 .31558 0 .97172 1 .47538 0.34699 1 .04126 1.51390 2800

2810 0 .28235 0 .89567 1 .42910 .31325 0 .96646 I .47233 0. 34452 1 .03587 1.51103 2810

2820 0 .280 18 0 .89060 1 .42588 0 .31093 0 .96124 I .46927 0.34207 I .03050 1.50816 2820

2830 0 .27802 0 .88556 1 .42263 0 .30864 0 .95604 1 .46621 0. 33964 1 .02517 1.50529 2830

2840 0 .27589 0 .88055 1 .41937 0. 30636 0.95088 1 .46315 0. 33723 .01987 1 . 50241 2840

2850 0 .27376 0 .87556 1 .41611 0 .30410 0 .94574 1 .46009 0.33483 1 .01459 1.49953 2850

2860 0 .27166 0 . 8706 1 I .41285 0 .30186 0 .94063 1 .45702 0. 33246 \ .00934 1 . 49664 2860

2870 0 .26958 0 .86568 • yy w ^ \j \j I .40959 0 .29963 0 .93555 1 .45395 0. 33010 1 . 0041

1 .49375 2870

2880 0 .26751 0 . 86079 1 . 40632 0 .29742 0 .93050 1 .45088 0. 32776 0 . 99893 1 . 49086 2880

2890 0 . 26546 0 . 85592 I . 40306 0 .29523 0 .92548 1 .44780 0. 32544 0 . 99377 1.48796 2890

2900 0 .26342 0 .85108 1 .39979 0 .29306 0 .92048 1 .44472 0.32314 0 .98864 1.48506 2900

2910 0 . 26140 0 . 84626 I .39651 0 .29091 0 .91551 1 .44164 0. 32085 0 .98353 1.48216 2910

2920 0 .25940 0 .84148 1 .39324 0 .28877 0.91057 1 .43856 0.31858 0 .97845 1 .47926 2920

2930 0 . 25742 0 . 83672 . 38996 0 .28665 0 .90566 1 .43547 0. 31633 0 .97340 I . 47635 2930

2940 0 .25 545 0 .83199 . 38668 0 .28454 0 .90077 1 .43238 0.31410 0 .96837 1 .47344 2940

2950 0 .25349 0 .82729 1 .38340 0 .28246 0 .89591 1 .42929 0.31188 0 .96337 1.47052 2950

2960 0 .25156 0 .82261 I . 38012 0 .28038 0 .89108 1 .42619 0. 30968 0 .95840 1.46761 2960

2970 0 . 24964 0 .81796 I . 37684 0 .27833 0 .88628 I .42309 0.30750 0 .95346 1.46468 2970

2980 0 . 247 73 0 .81334 I . 37355 0 .27629 0 .88150 1 .41999 0.30533 0 .94854 1 .46176 2980

2990 0 . 24584 0 .80874 \ .37026 0 .27427 0 .87675 1 .41689 0.30318 0 .94365 1 . 45883 2990

3000 0 .24396 0 .80417 1 . 36698 0 .27226 0 .87202 1 .41378 0.30104 0.93878 1.45591 3000

3010 0 .24211 0 .79963 I .36368 0.27027 0 . 86732 1 .41068 0.29893 0 .93394 1.45297 3010

3020 0 .24026 0 .79511 1 .36039 0 .26829 0 .86265 1 .40757 0.29683 0.92913 1.45004 3020

3030 0 .23843 0 .79062 1 .35710 0 .26633 0. 85800 1 .40446 0.29474 0 .92434 1.44710 3030

3040 0 .23662 0 .78616 1 .35380 0 .26439 0 .85338 1 .40134 0.29267 0 .91957 1.44416 3040

3050 0 .23482 0 .78172 I . 35051 0.26246 0 . 84878 1.39823 0.29061 0 .91484 1.44122 3050

3060 0 .23303 0 .77730 1 .34721 0 .26054 0 .84421 1 .39511 0.28858 0 .91012 1.43828 3060

3070 0 .23126 0 .77291 1 .34391 0 .25864 0 .83966 I .39199 0.28655 0 .90544 1.43533 3070

3080 0 .22950 0 .76854 I .34061 0 .25676 0 . 83514 1 .38887 0.28454 0 .90077 1.43238 3080

3090 0 .22776 0 .76420 1 . 33731 0 .25489 0 . 83064 1 .38575 0.28255 0 .89614 1.42943 3090

178
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

V _(Fo_eo)/t so c° -(F°-Eg)/T S° C° -(F°-Eg)/T S°

cm

T=2000. T=2100. T=2200.

3100 0. 22603 0. 75989 1. 33401 0.25303 0. 82617 1. 38262 0.28057 0.89152 1 .42647 3100

3110 0. 22431 0. 75560 1. 33070 0. 251 19 0. 82172 1. 37950 0.27861 0.88693 1 .42351 3110

3120 0. 22261 0. 75133 1. 32740 0. 24936 0. 81730 1. 37637 0.27666 0.88237 1 .42056 3120

3130 0. 22092 0. 74709 1. 32410 0. 24755 0, 81290 1. 37324 0.27473 0.87783 1 .41759 3130

3140 0. 21925 0. 74287 1. 32079 0. 24575 0,80853 1. 37011 0.27281 0.87331 1 .41463 3140

3150 0. 21759 0. 73868 1. 31748 0. 24396 0. 80417 1, 36698 0.27090 0.86882 1 .41167 3150

3160 0. 21594 0. 73451 1. 31418 0. 24219 0, 79985 1. 36334 0.26901 0.86435 1 .40870 3160

3170 0. 21431 0. 73036 1. 31087 0. 24044 0. 79554 1. 36071 0.26713 0.85990 1 .40573 3170

3180 0. 21269 0. 72623 1. 30756 0. 23869 0. 79126 1. 35757 0.26527 0.85548 1 .40276 3180

3190 0. 2110H 0. 72213 1. 30425 0. 23696 0. 78700 1. 35443 0.26342 0.85108 1 .39979 3190

c°

p

V

cm

3200 0. 20948 0. 71806 1 . 30094 0. 23524 0, 78277 1 .35129 0. 26159 0.84670 1 .39681 3200

3210 0. 20790 0. 71400 1 .29764 0. 23354 0. 77356 1 .34815 0. 25976 0.84235 1 .39384 3210

3220 0. 20633 0. 70997 1 .29433 0. 23185 0. 77437 1 .34501 0. 25796 0.83802 I .39086 3220

3230 0. 20477 0. 70596 1 .29102 0. 23017 0. 77020 1 .34187 0. 25616 0.83371 1 .38788 3230

3240 0. 20322 0. 70198 1 .28771 0. 22850 0. 76606 1 .33872 0. 25438 0.82942 1 .38490 3240

3250 0. 20169 0. 69802 1 .28440 0. 22685 0.76194 1. 33558 0. 25261 0. 82516 1. 38191 3250

3260 0. 20017 0. 69407 1 .28109 0. 22521 0.75784 1. 33243 0. 25086 0. 82092 1. 37893 3260

3270 0. 19866 0. 69016 1 .27778 0. 22358 0.75377 1. 32929 0. 24911 0. 81670 1. 37594 3270

3280 0. 19716 0. 68626 1 .27447 0. 22197 0.74971 1. 32614 0. 24739 0. 81250 1. 37295 32 80

3290 0. 19568 0. 68239 1 .27116 0. 22036 0.74568 1. 32299 0. 24567 0. 80833 1. 36997 3290

3300 0. 19420 0. 67853 1 .26785 0. 21877 0.74167 1. 31985 0. 24396 0. 80417 1. 36698 3300

3310 0. 19274 0. 67470 1 -26454 0. 21720 0.73768 1. 31670 0. 24227 0. 80004 1. 36398 3310

3320 0. 19129 0. 67089 1 .26123 0. 21563 0.73371 1. 31355 0. 24059 0. 79593 1. 36099 3320

3330 0. 18985 0. 66710 1 .25792 0.21407 0. 72977 1. 31040 0- 23893 0. 79184 1. 35800 3330

3340 0. 18843 0. 66334 1 .25461 0. 21253 0.72584 1. 30725 0. 23727 0. 78778 1. 35500 3340

3350 0. 18701 0.65959 1 .25130 0.21100 0.72194 1 .30410 0. 23563 0 .78373 1 .35201 3350

3360 0. 18560 0.65587 1 .24799 0.20948 0.71806 1 .30095 0. 23400 0 .77971 1 .34901 3360

3370 0. 18421 0.65216 1 .24469 0.20797 0.71420 1 .29779 0. 23238 0 .77570 1 .34601 3370

3380 0. 18283 0.64848 1 .24138 0.20648 0.71036 1.29464 0. 23078 0 .77172 1 .34301 3380

3390 0. 18146 0.64482 1 .23807 0.20499 0.70654 1 .29149 0. 22918 0.76775 1 .34001 3390

3400 0. 18009 0.64117 1 .23477 0.20352 0.70274 1 .28834 0. 22760 0 .76381 1 .33701 3400

3410 0. 17874 0.63755 1 .23146 0.20205 0.69896 1 .28518 0. 22603 0 .75989 1 .33401 3410

3420 0. 17740 0.63395 1 .22816 0.20060 0.69520 1 .28203 0. 22447 0 .75599 1 .33101 3420

3430 0. 17607 0.63037 1 .22486 0.19916 0.69146 1 .27888 0. 22292 0 .75211 1 .32800 3430

3440 0. 17475 0.62681 1 .22156 0.19773 0.68774 1 .27573 0.22138 0.74824 1 .32500 3440

3450 0. 17345 0.62327 1 .21825 0.19631 0.68404 1 .27257 0. 21986 0 .74440 1 .32199 3450

3460 0. 17215 0.61975 1 .21495 0. 19491 0.68036 1 .26942 0. 21834 0 .74058 1 .31899 3460

3470 0. 17086 0.61625 1 .21166 0. 19351 0.67671 1 .26627 0. 21684 0 .73678 1 .31598 3470

3480 0. 16958 0.61276 1 .20836 0. 19212 0.67307 1 .26312 0. 21535 0 .73299 1 .31298 3480

3490 0. 16831 0.60930 1 .20506 0.19074 0.66945 1 .25997 0. 21386 0 .72923 1 .30997 3490

3500 0. 16705 0.60586 1 .20177 0. 18938 0.66585 1 .25682 0. 21239 0 .72549 1 .30696 3500

3510 0. 16580 0.60243 1 .19847 0. 18802 0.66226 1 .25366 0. 21093 0 .72176 1 .30395 3510

3520 0. 16456 0.59903 1 .19518 0. 18667 0.65870 1 .25051 0. 20948 0 .71806 1 .30095 3520

3530 0. 16333 0.59564 1 . 19189 0.18534 0.65516 1 .24736 0. 20804 0 .71437 1 .29794 3530

3540 0. 16211 0.59228 1 .18860 0. 18401 0.65163 1 .24421 0.20661 0 .71070 1 .29493 3540

3550 0. 16090 0.58893 I .18531 0.18270 0.64813 1 .24106 0. 20519 0 .70706 1 .29192 3550

3560 0. 15970 0.58560 1 .18202 0.18139 0.64464 1 .23792 0. 20378 0 .70343 1 .28891 3560

3570 0. 15851 0.58229 1 . 17874 0.18009 0.64117 1 .23477 0. 20239 0 .69981 1 .28590 3570

3580 0. 15733 0.57899 1 . 17545 0.17881 0.63773 1 .23162 0. 20100 0 .69622 1 .28289 3580

3590 0. 15616 0.57572 1 .17217 0.17753 0.63429 1 .22848 0. 19962 0 .69265 1 .27988 3590

179
V -(f°-e°)/t

Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

T S° C° -(F°-E°)/T S° C° -(F°-Eo)/T S°

p u y 0

C°

P -1 cm cm

T=2000. T=2100. T=2200.

3600 0. 15499 0. 57246 I. 16889 0. 17626 0.63088 1. 22533 0. 19825 0. 68909 I .27687 3600

3610 0.15384 0. 56923 1. 16561 0. 17500 0.62749 1. 22218 0. 19689 0. 68555 1 .27386 3610

3620 0. 15269 0. 56601 1. 16234 0. 17376 0.62411 1. 21904 0. 19554 0. 68203 1 .27086 3620

3630 0. 15155 0. 56280 1. 15906 0. 17252 0.62075 1. 21590 0. 19420 0. 67853 1 .26785 3630

3640 0. 15042 0. 55962 1. 15579 0. 17129 0.61741 1. 21276 0. 19288 0. 67505 1 .26484 3640

3650 0. 14930 0. 55645 1. 15252 0. 17007 0.61409 1. 20961 0. 19156 0. 67158 1 .26183 3650

3660 0. 14819 0. 55331 1. 14925 0.16885 0.61078 1. 20647 0. 19025 0. 66813 1 .25882 3660

3670 0. 14709 0. 55017 1. 14598 0. 16765 0.60750 1. 20334 0. 18894 0. 66470 1 .25581 3670

3680 0. 14600 0. 54706 1. 14272 0. 16646 0.60423 1. 20020 0. 18765 0. 66129 1 .25281 3680

3690 0. 14491 0. 54396 1. 13945 0. 16527 0.60097 1. 19706 0. 18637 0. 65789 1 .24980 3690

3700 0. 14383 0. 54088 1. 13619 0. 16409 0. 59774 1. 19393 0. 18510 0. 65452 1 .24679 3700

3710 0. 14276 0. 53782 1. 13294 0. 16293 0.59452 1. 19079 0. 18383 0. 65116 I .24378 3710

3720 0. 14170 0. 53478 1. 12968 0. 16177 0.59132 1. 18766 0. 18258 0. 64781 1 .24078 3720

3730 0. 14065 0. 53175 1. 12643 0. 16062 0.58813 1. 18453 0. 18133 0. 64448 1 .23777 3730

3740 0. 13961 0. 52874 1. 12318 0. 15948 0.58497 1. 18140 0. 18009 0. 64117 1 .23477 3740

3750 0. 13857 0. 52574 1. 11993 0. 15834 0. 58182 1. 17827 0. 17887 0. 63788 1 .23176 3750

3760 0, 13754 0. 52276 1. 11668 0. 15722 0. 57868 1. 17514 0. 17765 0. 63461 1 .22876 3760

3770 0. 13652 0. 51980 1. 11344 0. 15610 0. 57556 1. 17202 0. 17643 0. 63135 1 .22576 3770

3780 0. 13551 0. 51686 1. 11020 0. 15499 0. 57246 1. 16889 0. 17523 0. 62810 1 .22276 3780

3790 0. 13450 0. 51393 1. 10696 0. 15389 0. 56938 1. 16577 0. 17404 0. 62488 1 .21976 3790

3800 0. 13351 0. 51102 1. 10372 0. 15280 0.56631 1. 16265 0. 17285 0. 62167 1 .21675 3800

3810 0. 13252 0. 50812 1. 10049 0. 15171 0.56326 1. 15953 0. 17168 0. 61847 1 .21376 3810

3820 0. 13153 0. 50524 1. 09726 0.15064 0.56023 1. 15641 0. 17051 0. 61529 1 .21076 3820

3830 0. 13056 0. 50237 1. 09403 0. 14957 0.55721 1. 15330 0. 16935 0. 61213 1 .20776 3830

3840 0. 12959 0. 49953 1. 09080 0. 14851 0.55420 1. 15018 0. 16820 0. 60899 1 .20476 3840

3850 0 .12863 0. 49669 1 .08758 0. 14746 0. 55122 1 . 14707 0. 16705 0.60586 1 .20177 3850

3860 0 . 12768 0. 49388 1 .08436 0. 14641 0. 54824 1 . 14396 0. 16592 0. 60274 1 .19877 3860

3870 0 . 12674 0. 49107 1 .08115 0. 14538 0. 54529 1 . 14085 0. 16479 0. 59965 1 .19578 3870

3880 0 .12580 0. 48829 1 .07793 0. 14435 0. 54235 1 .13775 0. 16367 0.59656 1 .19279 3880

3890 0 .12487 0. 48552 1 .07472 0. 14332 0. 53942 1 .13464 0. 16256 0. 59350 1 . 18979 3890

3900 0 . 12394 0. 48276 1 .07151 0. 14231 0. 53651 1 .13154 0. 16145 0. 59045 1 . 18680 3900

3910 0 . 12303 0. 48002 1 .06831 0. 14130 0.53362 1 . 12844 0. 16036 0. 58741 1 . 18382 3910

3920 0 .12212 0. 47730 1 .06511 0. 14030 0. 53074 1 . 12534 0. 15927 0. 58439 1 .18083 3920

3930 0 .12122 0. 47459 1 .06191 0. 13931 0. 52788 1 . 12225 0.15819 0. 58139 1 . 17784 3930

3940 0 . 12032 0.47189 1 .05872 0. 13833 0. 52503 1 .11915 0. 15712 0. 57840 1 . 17486 3940

3950 0 .11943 0. 46921 1 .05553 0. 13735 0. 52220 I .11606 0. 15605 0. 57542 1 .17187 3950

3960 0 .11855 0. 46655 1 .05234 0. 13638 0. 51938 1 .11297 0. 15499 0. 57246 1 . 16889 3960

3970 0 .11767 0. 46390 1 .04915 0. 13541 0.51658 1 . 10989 0. 15394 0. 56952 1 . 16591 3970

3980 0 .11680 0. 46126 1 .04597 0. 13446 0. 51379 1 . 10680 0. 15290 0. 56659 1 . 16293 3980

3990 0 .11594 0. 45864 1 .04279 0. 13351 0. 51102 1 .10372 0. 15186 0. 56368 1 . 15995 3990

4000 0.11509 0.45604 1.03962 0.13256 0.50826 1.10064 0.15083 0.56078 1.15698 4000

180
cm

-1

Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

(F°-Eg)/T S° C°

P

-(F°-Eo)/T SO C°

P -(f°-e°)/t 3° C°

P cm

T=2300. T=2400. T=2500.

100 5.56964 7.49530 1.98652

110 5.38639 7.30597 1.98639

120 5.21962 7.13314 1.98624

130 5.06670 6.97416 1.98607

140 4.92556 6.82699 1.98590

5.65165 7.57985 1.98657

5.46815 7.39052 1.98645

5.30113 7.21768 1.98631

5.14795 7.05869 1.98616

5.00656 6.91151 1.98600

5.73041 7.66095 1.98662

5.54667 7.47161 1.98651

5.37942 7.29876 1.98638

5.22601 7.13977 1.98624

5.08439 6.99258 1.98610

100

110

120

130

140

150 4.79458 6. 68998 1. 98571 4. 87533 6. 77449 1. 98583 4. 95293 6. 85556 1 .98594 150

160 4.67245 6. 56183 1. 98551 4. 75295 6. 64634 1. 98565 4. 83032 6. 72740 1 .98577 160

170 4.55809 6. 44147 1. 98530 4. 63833 6. 52596 1. 98545 4. 71547 6. 60702 1 -98559 170

180 4.45061 6. 32800 1. 98507 4. 53060 6. 41248 I. 98524 4- 60751 6. 49353 1 .98539 180

190 4.34926 6. 22068 1. 98483 4. 42901 6. 30515 1. 98502 4. 50569 6. 38619 1 .98519 190

200 4.25342 6. 11887 1. 98458 4. 33292 6. 20334 1. 98479 4. 40937 6. 28437 1 .98498 200

210 4. 16255 6. 02205 1. 98431 4.24180 6. 10651 1. 98455 4. 31802 6. 18753 1 .98475 210

220 4.07618 5. 92975 1. 98404 4. 15519 6. 01419 1. 98429 4. 23118 6. 09520 1 .98452 220

230 3.99392 5. 84156 1. 98375 4. 07268 5. 92599 1. 98402 4. 14844 6.00699 1 .98427 230

240 3.91541 5. 75714 1. 98344 3.99392 5. 84156 1. 98375 4. 06946 5. 92255 1 .98401 240

250 3. 84035 5. 67618 1. 98312 3. 91861 5. 76059 1. 98345 3. 99392 5. 84156 1 .98375 250

260 3. 76846 5. 59840 1. 98279 3. 84648 5. 68280 1. 98315 3. 92156 5. 76376 1 .98347 260

270 3. 69951 5. 52358 1. 98245 3. 77728 5. 60796 1. 98284 3, 85214 5. 68891 1 .98318 270

280 3. 63328 5. 45149 1. 98210 3. 71080 5. 53585 1. 98251 3. 78544 5. 61679 1 .98288 280

290 3. 56957 5. 38194 1. 98173 3. 64686 5. 46629 1. 98217 3. 72127 5. 54722 1 .98256 290

300 3 .50823 5. 31476 1 .98135 3.58527 5. 39910 1 .98182 3. 65945 5.48001 1 .98224 300

310 3 .44909 5. 24980 1 .98095 3.52589 5. 33412 1 .98146 3. 59985 5. 41502 1.98191 310

320 3 .39201 5. 18691 1 .98055 3.46857 5. 27122 1 .98109 3. 54230 5. 35210 1 .98156 320

330 3 .33687 5. 12598 1 .98013 3.41318 5. 21026 1 .98070 3. 48669 5. 29113 1 .98121 330

340 3 .28354 5. 06687 1 .97970 3.35962 5. 15114 1 .98030 3. 43290 5- 23199 1 .98084 340

350 3.23193 5. 00949 1 .97925 3.30776 5. 09374 1 .97990 3. 38083 5. 17458 I .98046 350

360 3 . 18194 4. 95374 1 .97879 3.25753 5. 03797 1 .97947 3. 33037 5. 11879 1 .98008 360

370 3.13347 4. 89953 1 .97832 3.20882 4. 98374 1 .97904 3. 28145 5. 06454 1 .97968 370

380 3 .08645 4. 84678 1 .97784 3.16156 4. 93097 1 .97860 3. 23396 5. 01175 1 .97927 380

390 3.04080 4. 79541 1 .97734 3. 11567 4. 87958 1 .97814 3. 18785 4. 96035 1 .97885 390

400 2 .99645 4. 74535 1 .97683 3.07108 4. 82950 1 .97767 3. 14304 4. 91025 1 .97842 400

410 2 .95333 4. 69655 1 .97631 3.02773 4. 78068 1 .97720 3. 09947 4. 86140 1 .97798 410

420 2 .91139 4. 64893 1 .97578 2.98555 4. 73304 1 .97670 3. 05708 4. 81375 1 .97752 420

430 2 .87057 4. 60244 1 .97523 2.94450 4. 68653 1 .97620 3. 01580 4. 76722 1 .97706 430

440 2 .83082 4. 55704 1 .97467 2.90451 4. 64110 1 .97569 2. 97560 4. 72177 1 .97658 440

450 2 .79209 4. 51267 1 .97410 2.86555 4. 59671 1 .97516 2. 93642 4. 67736 1 .97610 450

460 2 .75434 4.46929 1 .97351 2.82756 4. 55330 1 .97462 2. 89821 4. 63393 1.97560 460

470 2 .71752 4. 42685 1 .97292 2.79050 4. 51084 1 .97407 2. 86094 4. 59145 1 .97510 470

480 2 .68159 4. 38532 1 .97231 2.75434 4. 46929 1 .97351 2. 82456 4. 54987 1 .97458 480

490 2 .64652 4. 34466 1 .97168 2.71903 4. 42860 1 .97294 2. 78904 4. 50916 1 .97405 490

500 2 .61226 4. 30483 1 .97105 2.68455 4. 38875 1 .97236 2. 75434 4. 46929 1 .97351 500

510 2 .57880 4. 26581 1 .97040 2.65085 4. 34970 1 .97176 2. 72043 4. 43021 1 .97296 510

520 2 .54610 4. 22755 1 .96974 2.61792 4. 31141 1 .97115 2. 68728 4. 39191 1 .97240 520

530 2 .51412 4. 19004 1 .96907 2.58571 4. 27387 1 .97054 2. 65486 4. 35434 1.97183 530

540 2 .48285 4. 15324 1 .96838 2.55420 4. 23705 1 .96991 2. 62314 4. 31749 1 .97125 540

550 2 .45225 4. 11713 1 .96768 2.52337 4. 20091 1 .96926 2. 59209 4. 28132 1 .97066 550

560 2 -42230 4- 08168 1 .96697 2.49319 4. 16543 1 .96861 2. 56170 4. 24582 1 .97006 560

570 2 .39298 4. 04687 1 .96625 2.46364 4. 13059 1 .96795 2. 53194 4. 21096 1 .96944 570

580 2 .36426 4. 01268 1 .96551 2.43470 4. 09637 1 .96727 2. 50278 4. 17671 1 .96882 580

590 2 .33613 3. 97909 1 .96476 2.40634 4. 06275 1 .96658 2. 47421 4. 14306 1 .96819 590

181
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

-1

•(F°-Eo)/T S° C°P (f°-e°)/t so 0°

P

-(f°-e°)/t s° 0°

p cm

1 = T1 - 2400. T= 2500 •

600 2. 30856 3. 94607 1 .96400 2. 37854 4. 02970 I .96588 2. 44621 4. 10999 1 .96754 600

o 1

^ » 154 91361 1 2 . 3 5 1 z:9 3 . 99 / 2 1 1 . 9651

2. 41875 4. 07747 1 .96689 610

A. O A ocu ^ . o c c n / 3 . 88170 1 . 96245 2 . 32457 3. 96526 1 . 96445 2. 39182 4. 04549 1 .96622 620

630 z . 22906 3. 85030 1 . 96165 2. 29836 3. 93 384 1 .96372 2. 36540 4. 01404 1 .96554 630

640 z . 20357 3. 8 1942 1 . 96084 2. 27265 3 . 90292 1 . 96297 2. 33947 3. 98309 1 .96486 640-

650 2. 17856 3. 78902 1 .96002 2. 24741 3. 87249 1 .96221 2. 31403 3. 95263 1.96416 650

660 2. 15401 3. 75910 1 .95918 2. 22264 3. 84254 1 .96145 2. 28905 3. 92265 1 .96345 660

670 2. 12991 3. 72965 1 .95833 2. 19832 3. 81305 1 .96067 2. 26452 3. 89313 1 .96273 670

680 2. 10625 3. 70064 1 .95747 2. 17443 3. 78400 1 .95988 2. 24043 3. 86405 1 .96200 680

690 2. 08302 3. 67207 1 .95660 2. 15097 3. 75540 1 .95908 2. 21676 3. 83542 1 .96126 690

700 2. 06019 3. 64393 1 .95572 2. 12793 3. 12122 1 .95826 2. 19351 3. 80720 1 .96051 700

710 2. 03776 3. 61619 1 .95482 2. 10528 3. 69944 1 .95744 2. 17065 3. 77940 1 .95975 710

720 2. 01572 3. 58886 1 .95391 2.08302 3. 67207 1 .95660 2. 14819 3. 75199 1 .95898 720

730 1. 99406 3. 56191 1 .95299 2. 06113 3. 64509 1 .95576 2. 12610 3. 72498 1 .95820 730

740 1. 97276 3. 53535 1 .95206 2. 03962 3. 61849 1 .95490 2. 10438 3. 69834 1 .95740 740

750 1 .95183 3. 50915 1 .95112 2.01846 3. 59225 1. 95403 2. 08302 3. 67207 1 .95660 750

760 1 .93123 3. 48331 1 .95016 1.99765 3. 56638 1. 95315 2. 06200 3. 64616 1 .95579 760

770 1 .91098 3. 45783 1 .94919 1.97717 3. 54085 1. 95226 2. 04132 3. 62060 1 .95497 770

780 1 .89105 3. 43268 1 .94821 1.95703 3. 51567 1. 95135 2. 02098 3. 59538 1 .95413 780

790 1 .87145 3. 40787 1 .94722 1.93720 3. 49081 1. 95044 2. 00095 3. 57049 1 .95329 790

800 1.85215 3. 38338 1 .94621 1 .91769 3. 46628 1 .94951 1.98124 3. 54593 1 .95243 800

810 1.83316 3. 35921 1 .94519 1 .89849 3. 44207 1 .94858 1.96183 3. 52168 1 .95157 810

820 1.81447 3. 33535 1 .94416 1 .87958 3. 41817 1 .94763 1.94272 3. 49774 1 .95070 820

830 1.79607 3. 31179 1 .94312 1 .86096 3. 39457 1 .94667 1.92390 3. 47410 1 .94981 830

840 1.77794 3. 28853 1 .94207 1 .84262 3. 37126 1 .94570 1.90537 3. 45075 1 .94892 840

850 1 .76010 3. 26555 1. 94100 1 .82456 3. 34824 1. 94472 1. 88711 3. 42769 1.94801 850

860 1 .74252 3. 24285 1. 93993 1 .80677 3. 32550 1. 94373 1. 86911 3. 40491 1.94710 860

870 1 .72520 3. 22043 1. 93884 1 .78924 3. 30303 1. 94273 1. 85139 3. 38241 1.94617 870

880 1 .70814 3. 19828 1. 93774 1 .77197 3. 28084 1. 94172 1. 83392 3. 36017 1.94523 880

890 1 .69134 3. 17639 1. 93662 1 .75494 3. 25890 1. 94069 1. 81670 3. 33820 1.94429 890

900 1.67477 3. 15476 1. 93550 1.73817 3. 23722 1.93966 1. 79972 3. 31648 1 .94333 900

910 1.65844 3. 13338 1. 93436 1.72163 3. 21580 1.93861 1. 78299 3. 29501 1 .94236 910

920 1.64235 3. 11224 1. 93322 1.70533 3. 19461 1.93755 1. 76649 3. 27379 1 .94139 920

930 1.62649 3. 09135 1. 93206 1.68925 3. 17367 1.93648 1. 75022 3. 25281 1 .94040 930

940 1.61085 3. 07069 1. 93089 1.67340 3. 15297 1.93541 1. 73418 3. 23206 1 .93941 940

950 1 .59543 3. 05027 1 .92970 1 .65777 3. 13249 1. 93432 1. 71835 3. 21154 1.93840 950

960 1 .58022 3. 03007 1 .92851 1 .64235 3. 11224 1. 93322 1.70274 3. 19125 1.93738 960

970 1 .56522 3. 01009 1 .92730 1 .62715 3. 09222 1. 93211 1. 68734 3. 17118 1.93636 970

980 1 .55043 2. 99033 1 .92608 1 .61214 3. 07241 1. 93098 1. 67214 3. 15132 1.93532 980

990 1 .53583 2. 97078 1 .92486 1 .59734 3. 05281 1. 92985 1. 65715 3. 13168 1.93427 990

1000 1 .52144 2. 95144 1 .92361 1 .58274 3.03342 1. 92871 1. 64235 3. 11224 1.93322 1000

1010 1 .50723 2. 93230 1 .92236 1 .56833 3. 01423 1. 92755 1. 62775 3. 09301 1.93215 1010

1020 1 .49322 2. 91337 1 .92110 1 .55411 2. 99525 1. 92639 1. 61334 3. 07398 1.93107 1020

1030 1.47938 2. 89463 1 .91982 1 .54007 2. 97646 1. 92522 1. 59911 3. 05515 1.92999 1030

1040 1 .46573 2. 87609 1 .91854 1 .52621 2. 95786 1. 92403 1. 58506 3. 03651 1.92889 1040

1050 1.45226 2. 85774 1. 91724 1 .51254 2. 93946 1. 92283 1. 57119 3. 01805 1 .92779 1050

1060 1.43896 2. 83957 1. 91593 1 ,49903 2. 92124 1. 92163 1. 55750 2. 99978 1 .92667 1060

1070 1.42583 2. 82159 1. 91461 1 .48570 2. 90320 1. 92041 1. 54398 2. 98170 1 .92555 1070

1080 1.41287 2. 80378 1. 91328 1 .47254 2. 88534 1. 91918 1. 53063 2. 96379 1 .92441 1080

1090 1.40007 2. 78616 1. 91193 1 .45954 2. 86766 1. 91794 1. 51744 2. 94606 1 .92327 1090

182
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

y -(F°-E°)/T so G° -(F°-E°)/T so C° -(F°-Eo)/t So

cm

"'"

T=2300. T=2400. T=2500.

1 1 r\c\ 1i 1 D 7 A A i Q 1 n Q 1I AA A7 n O

m i • Q7 11 A7n O 1 U

1X Rn A A 1 2.92850 1 .92211 X1 1X nnVJ\J

1 1 1 n 1i O 7 C 1 /. O

L

1X A 1 An 9 T

£. • Q T 9 Q 1 O 3Z o i

11 Q 1 A A • 7 I D*fH 1 AQ 1 c: c

• i D D 2 .91111 1 .92095 11

111 nI u

1 Cm I1L Q n 7 Q A 1X A 9 1 AO •J C. • p 1 c A 1 O i Do 9

11 Q 1 A 1 7 • 7 i H 1 f 1 A 7 A A

• *t r O O 9 2 .89389 1 .91977 X 1 aU

11 n A A 1i Q n A A 1 AO O 1 9 C. • 7 Q Q A 9 f 7 C5011 • Q7 1

1 A9 Ao Q7 1 A A A 9 A • *t O O A O 2 .87683 1 .91859 11

1X "^n J<J 1140 1 .33844 2.70056 1 .90505 1 .39690 2. 78178 1 .91160 1 .45387 2.85993 1 .91740 1140

\L ^ 9 A 7 <1 O O J 7 ^1 1X IQ AQ-l . J O H O -> 9 1 O J L* 7

1X . 7 L \J D \J 1X 44 1 ^1

. X O X 2 .84319 1 .91619 1X 1X SOw

J. 1. o u

11 1 1 AOA ^ « OO f *T -> 1

i. Qf)7 7 7 1X . J 771 A Qfl 7 \J c • 1 ^ O J

1X . 7 W O 7 7 X1 .42949 2 .82660 1 .91498 1160

1 J. r u

11 . -3 ^ J ? AS! 1 'K 1L 1 .36111 9£. • 7^717 1 ^ A X f 1X a 7 u f U U 1X .41 . X 7S7 1 J A 2 .81017 1 .91376 1170

1 1 flfl 1 ^ « O J ~ 7 o 1 . O 7 7 J ^ 1 .34946 7f X1 SQ47

1X • 7 W ^ J1X . 40 569 2 .79389 1 .91253 1180

1190 1 .28048 2.61893 1 .89789 1 .33794 2- 69986 1 .90499 1 .39399 2 .77776 1.91129 1190

1 C. . U J U U 1X . 89642 1 .32657 2 , 68 392 I . 90364 1 .38243 2 .76177 1 .91003 1200

1210 1

X. .25875 • C- -J <J J 2. 58733 I . 89495 1 .31532 2, 66813 I . 90228 1 .37100 2 .74592 1 .90877 1210

l.C£.\J 1L, 7 1 7A 1X . O 7 J "TO 1 .30421 A .

1X • 7 W \J 7 X 1 .35970 2 .73022 1 .90751 1220

1X • U T ^ . J J \J £. O 1 . 89196 1 .29322 2. 63697 \ . 89952 1 .34853 2 .71465 1 .90623 1230

1240 1 .22587 2.54097 1 .89046 1 .28236 2. 62159 1 .89813 1 .33749 2 .69922 1 .90494 1240

1 psn 1 » ^ ^ J £. 7 S7'i7Q 1X « O O O 7^ 1 .27162 2. 6nft'^ U U U J sJ X1 . O 7 U 1 J 1 .32657 2 .68392 1 .90364 1250

1 7An 1L • €-\J ^ J \J

1X O O 1 ^ X 1 .26100 2 . SQI7 X 7'i A J1X . O 7 _/ J A 1 .31577 2 .66876 1 .90233 X A UV/

L £. f \J I . i 7 ^ D £. . ^ 7 -J O J

1X . O O O 1 1.25050 9c • J 1 WA 1 1X . O 7 J 7 U 1 .30509 2 .65373 1 .90102 1770 X A 1 l;

1 ^ o u

1 1 fl 1 . 1 O *t*T 1 7 A D 1 n s 1X O O All I 1.24012 9^ • KV O

A 1X ^

A A7 1X QQOA A . O 7 A " O 1 .29453 2 .63882 1 .89969 1X A7 RnO w 1290 1 . 17434 2.46639 1 .88275 1 .22985 2. 54670 1 .89X02 1 .28409 2 .62404 1 .89836 1290

1 inn 1 . 16438 1 R A t • H _> 1 O D

1I • O o 1 1

1 .21970 c 1 9 1 n D^ A I U

11 • O O 7D f 1.27375 2 .60939 1 .89701 L J\J\J inn 1 .15453 /i. i7Zi c; 1 a 7 QAH 1 .20966 o

c. • D 1 7 A 1 1 f o:) L A A A 1 1 • O O O i 1 1 .26354 2 .59486 1 .89566 1 ^ 1 n

1 a o n 1 .14479 X o 7 flnn 1 .19973 -> <\m DU 9 7 9 A f

1I • AoOOOH A A A A 1 .25343 2 .58045 1 .89430 X1 ^^ A7nu

1 .13516 T A n Q QQ 1 7 A4.n 1 .18991 9 A AOnA J. o o c 1 A

• OO D 11 .24343 2 .56616 1 .89292 X -3 1340 1 .12563 2.39494 1 .87479 1 . 18020 2. 47493 1 .88367 1 .23354 2 .55198 1 .89154 1340

1 iRn 1 .11621 ^ • J o i u 11X Q 711 A 1 .17059 9 AS-OA noi U 7 9

11 • OOA A 9 1 A A i O 1 .22375 2 .53792 1 .89015 1

1 19 RnDU

1 1 An 1 .10689 o -a A 7 1 Q 1 Q7 1 1 1 . 16108 9 AA 7 n A 11 A A n A • OO UO D 1 .21407 2 .52398 1 .88875 11 lAn 90U

1 i7n 1 .09768 1 a AO A P 1 .15168 Z • A1*t9 197 jZ f1 • OA7Qf 7 11 19 1 .20449 2 .51015 1 .88735 1 9 f u

1 .08856 9 1 ion Q 11 AAA 9 9 • oo o ^ 1 . 14237 A9 • A 1 QA 1 T- 4. 70 i

11 • A7Of 7f AnO U 1 .19501 2 .49643 1 .88593

1390 1 .07954 2.32641 1 .86656 1 .13316 2. 40606 1 .87606 1 .18562 2 .48282 1 .88450 1390

1.07062 C. • 3 1 JUH 1i A A A A A • OOH O O 1 .12406 9 1 Q 9 A 1 9 7 A O i

11 A7 At^ 9 • O f *f-D A 1 . 17634 2 .46931 1 .88307 1 Ann

1 A. 1 n x*»- X u 1 .06179 X A A 1 9 n • OO :)ZU 1 .11504 9 1 7 Q 9 A J f 7 AO X A 7 9 O A • O f A 70 1 .16715 2.45591 1.88162 1 A 1 n

1 .05306 0 9 n A A 1 11 A A 1 «;n 1 .10612 9A • 1 A An c: 1X A 7 1 1 Q • Of 197 1 .15806 2 .44262 1 .88017 11 A9n T- AU

1 .04442 1i At; Q7 Q 1 .09730 9 1 c; 9Q 9 9 Da 71 .86981 1 . 14906 2 .42943 1 .87871 L H 9U

1440 1 .03587 2.26060 1 .85807 1 .08856 2. 33989 1 .86822 1 .14015 2 .41635 1 .87724 1440

1 A G A 1 .02741 O O A T "7 A

1 1 .07992 ^: •

"a3269 o A m* 1 .86663 1 .13134 2 .40336 1 .87576 1 A c n IfOU 1.01904 1i a C A A 1 1 .07136 1 1 A 1 K 1 .86502 1 .12261 2 .39047 1 .87427 1 A An

1 A "7 r\ 14/0 1 .01075 ZmZliZ 34 11 O C O O A

1 .06289 A • 30 i4Z 1 .86341 1 .11397 2 .37768 1 .87277 14 (

14oU I .00255 o o o mQ ^ . /:u9 f O

11 D C 1 1 1 .03111 1 .05451 A . o O Q 7 r» <;oa (9 1 .86178 1 .10541 2 .36499 1 .87126

1490 0 .99444 2.19732 1 .84934 1 .04621 2. 27626 1 .86015 1.09694 2 .35240 1 .86975 1490

1500 0 .98640 2.18496 1 .84756 1 .03800 2. 26383 1 .85850 1 .08856 2 .33989 1 .86822 1500

1510 0.97846 2.17269 1 .84578 1.02987 2. 25148 1 .85685 1 .08026 2 .32749 1 .86669 1510

1520 0 .97059 2. 16051 1 .84398 1 .02182 2. 23923 1 .85519 1 .07204 2 .31517 1 .86515 1520

1530 0 .96280 2.14842 1 .84217 1 .01385 2. 22707 1.85352 1 .06390 2.30294 1 .86360 1530

1540 0 .95509 2.13643 1 .84036 1 .00596 2. 21500 1 .85184 1 .05584 2 .29081 1 .86204 1540

1550 0 .94746 2.12452 1 .83853 0 .99815 2. 20302 1 .85015 1 .04786 2.27876 1 .86048 1550

1560 0 .93990 2.11271 1 .83670 0 .99041 2. 19113 1 .84845 1 .03996 2 .26680 1 .85890 1560

1570 0 .93242 2-10098 1 .83485 0 .98275 2. 17932 1 .84675 1 .03213 2 .25493 1 .85732 1570

1580 0 .92501 2.08933 1 .83300 0 .97517 2. 16760 1 .84503 1 .02438 2 .24314 1 .85572 1580

1590 0 .91768 2.07777 1 .83114 0 .96766 2. 15597 1 .84330 1.01671 2 .23144 1 .85412 1590

c°

p -1

183
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

1/ -(F°-E°)/T S° CO -(FO-Eo)/T S° eg -(FO-Eo)/T S° 0° V

0 i'U P_]^ cm cm

T=2300. T=2400. T=2500.

1 />on 1X . 0 c. 7 £ 0 0. 96022 7 1 UUii, 7 1X OAi «;7 . OH X 3

1. 00910 . t 1 " 0 ^ X . 0 17 £ 1

1 Ann

1610 0.90323 2 .0549

1X .82738 0. 95285 1X . 0 J 7 0 1? 1. 00157 c . ^onft? U 0 ft c. 0 X 0 X V/ 1620 0 . 8961

C- • \J ~ J \j \J 1X . 82 549 0. 94556 ?Cm. 11, £.? 11, Sft J \J 1X . 0 J 0 \j \j 0. 99411 c,J . X 7 00 J X . OH 7 1. f 1X h7(\ 0 C. V/ 1630 0.88906 2.03237 1 .82359 0.93833 2.11026 1 .83632 0. 98672 2. 18545 1.84763 1630

1640 0.88208 2.02122 1 .82168 0. 93118 2.09903 1 .83455 0. 97940 2. 17416 1.84599 1640

1650 0.87517 2.01015 1 .81976 0. 92409 2.08788 1 .83277 0. 97215 2. 16294 1. 84434 1650

1660 0.86833 1.99916 1 .81783 0.91707 2.07681 1 .83098 0. 96497 2. 15180 1 .84268 1660

1670 0.86155 1.98825 1 .81589 0.91012 2. 06582 1 .82919 0. 95785 2. 14074 1 . 84101 1670

1680 0.85483 1.97742 1 .81394 0. 90323 2.05491 I .82738 0. 95080 2. 12975 1.83934 1680

1690 0.84818 1.96666 1 .81199 0. 89641 2.04407 1 .82557 0.94382 2. 11884 1.83765 1690

1700 0.84160 1.95597 1 .81002 0. 88965 2.03330 1 .82375 0. 93690 2. 10800 1.83596 1700

1710 0.83507 1.94536 1 . 80805 0. 88295 2.0226

1 .82192 0. 93004 2. 09724 1. 83426 1710

1720 0.82861 1.93483 1 .80606 0. 87632 2.01199 1 .82008 0. 92325 2. 08655 1.83255 1720

1730 0.82221 1.92436 I .80407 0. 86975 2.00145 1 .81823 0. 91651 2. 07593 1.83084 1730

1740 0.81587 1.91397 1 .80207 0. 86324 1.99097 1 .81638 0. 90984 2. 06538 1.82911 1740

1750 0.80959 1.90365 I .V 80006 V W W w XJ 0. 85679 1. 98057 1.81451 0. 90323 2. 05491 1 . 82738 1750

1760 0.80337 1 . 89340 1 . 79804 0. 85039 1 • 97024 1 .81264 0. 89668 2. 04450 1 . 82564 1760

1770 0. 79720 1 .88322 1X . 79601 0. 84406 X . 7 J 7 7 1 1 .81076 0. 89019 2. 03416 X . 0 <. J 0 7 1X 770 < 1 u 1780 0.79109 1.87310 1 .79398 0. 83778 1.94977 1 .80887 0. 88375 2. 02389 1.82214 1780

1790 0.78504 1.86306 1 .79193 0. 83157 1.93965 1 .80697 0. 87738 2. 01369 1.82037 1790

1800 0.77905 1 . flS3nft 1X . 78988 0. 82540 X . 7 7 _/ 0 1 .80507 0. 87106 2. 00355 1X .. ft0 1X HftO 0 u u 1800

1 R1 0 V.I 1 J L L 1 fl4^ 1 7 1X . 1 1 0 X 0. 81930 1 . 91959 1 .80315 0. 86479 1. 99348 X1 .. ftl 0 X Aft? u 0 ^ 1810

1 H?n 1X ft'^'^'^^ 0 J ^ ^ 1X 0. 81324 X . 7 v 7 u w 1 .80123 0. 85859 1. 98348 1 * ft 1 SO'^i 1820

1830 0.76139 1.82355 1 .78366 0. 80725 1.89980 1 .79930 0. 85243 1. 97353 1.81324 1830

1840 0.75562 1.81383 1 .78157 0. 80130 1.89000 1 .79736 0.84633 1. 96366 1.81144 1840

0 .74989 1 . flOAi

X • 0 U ^ 1. 0 1X . 77948 0. 79541 X V \J *J \J C. \J 1 .79542 0. 84029 1. 95384 1 . 80963 1850

A1 «hn O O U X1 • • ^ "T 7 X1 777^7 0. 78958 1 - R7nsq 1.79346 0. 83429 1. 94409 X . U V 1 0 X 1860

1 B7fl X • f \j J \J t 1I 0. 78379 X1 .• ftftn97 \J\J \J J t 1 .79150 0.82835 1.93441 1 . 80598 1870

1880 0.73303 1.77561 1 .77314 0.77805 1.85142 1 .78953 0. 82246 1.92478 1.80415 1880

1890 0.72750 1.76621 1 .77101 0. 77237 1.84194 1 .78756 0. 81663 1.91521 1.80231 1890

X 7WV/ X . 1 D 0 1 1X . f 0 0 0 f 0. 76674 L • ^ J £, J X. 1 .78557 0. 81084 1. 90571 1 .80046 1900

1 Q 1 n n 71 f^ft 1 1X . 747^<3 1 ^ 1 J 7

1X 0. 76115 X . 0 ^ ^ X ^ 1 .78358 0. 80510 1. 89626 1 . 79861 1910

1 7 ^ U nU . 7f 1I

11 417^H 1 7'^W^7 1 7/:. A C7 0. 75562 1 .78157 0. 79941 1. 88687 X . 1 7 0 1 H X 7 C V/ 1930 0.70591 1.72921 1 .76241 0.75013 1.80458 1 .77957 0. 79377 1. 87754 1.79487 1930

1940 0.70063 1.72010 1 .76024 0. 74469 1.79539 1.77755 0. 78818 1. 86827 1.79299 1940

U • 0 7 P*t U X • f 1 1 UO 1 7<% AHA 0. 73930 L . f 00^0 1 .77552 0. 78264 1. 85906 1 7Q1 1

X . ( 7 X X X 1X Qsn 7 ^ u

1 VoU n A on 0 0 U • 0 7U^^ 1 • r U^U f

11 7 R C Q 7 0. 73395 1 77 7 1 Q 1 .77349 0. 77714 1. 84990 1 . f 07C.C. 1X Q^n 70U

1 7 f U u • 00 DUO 1 AO ^ 1 A. i 7 >^ 'A A n 0. 72865 1 7 A m A 1 . r 0 0 1 0 1 .77145 0. 77169 1.84080 X1 . 7fi7'^P i 0 1 D 1X Q7n 7 1 U

u • 0 / 7 7 0 i. • 00

1 7C 1 Aft 0. 72340 X . f Zj^ c.\J 1 .76941 0. 76629 1. 83176 X • I 0 -J H X 1X 980 7 0 V

1990 0.67493 1.67545 1 .74927 0. 71819 1.75029 1 .76735 0. 76093 1. 82277 1.78350 1990

2000 0.66993 1.66669 1 .74705 0. 71302 1.74143 1 .76529 0. 75562 1. 81383 1.78157 2000

2010 0.66496 1.65798 1 .74482 0. 70790 1.73263 1.76322 0. 75035 1. 80495 1.77965 2010

2020 0.66005 1.64932 1 .74259 0.70283 1.72389 1 .76114 0. 74512 1.79612 1.77771 2020

2030 0.65517 1.64072 1 .74035 0. 69779 1.71520 1 .75906 0. 73994 1. 78735 1.77577 2030

2040 0.65034 1.63218 1 .73810 0. 69280 1.70656 1 .75697 0. 73480 1. 77863 1.77382 2040

2050 0.64554 1.62368 1 .73585 0. 68786 1.69797 1 .75487 0. 72971 1. 76996 1.77186 2050

2060 0.64079 1.61524 1 .73358 0. 68295 1.68944 1 .75276 0. 72465 1. 7613<f 1.76990 2060

2070 0.63608 1.60685 1 .73131 0. 67808 1.68095 1 .75065 0. 71964 1. 75278 1.76793 2070

2080 0.63141 1.59852 1 .72903 0. 67326 1.67252 1 .74853 0. 71467 1. 74426 1.76595 2080

2090 0.62678 1.59023 1 .72675 0. 66847 1.66414 1 .74640 0. 70974 1. 73580 1.76397 2090

184
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

V -(F°-E°)/T S° C° -(f°-e°)/t S° C° -(f°-e°)/t S°

cm

^

T1 — dO\J\J m 1 — A*T uu . T =2500.

2100 0.62219 1 .58199 1 ,72445 0. 66373 1 .65581 1 .74427 0. 70485 1 .72738 1.76197 2100

2110 0.61764 1 .57380 1 .72215 0. 65903 1 .64753 1 .74212 0. 70000 1 .71901 1 .75998 2110

0. 61313 11 c /L c: A 7 11 7 1 on S\ u . ODH DO 1 .63930 1L . f J 7 V 0 0. 69519 1 .71070 1 .75797

0. 60866 1I

1I « 1 X t J n A A Q7a I .63111 1L . 1 J 1 0 A 0. 69042 1 .70243 1 .75596

0. 60422 X • -3*T 7 I? H 1 nyj « A AC 1 C O^t J 1 I? 1 .62298 1X 7^c; A A 0.68569 1.69421 1 .75394 7 1 4(1

2150 0. 59982 1 .54155 1 .71288 0. 64060 1 .61489 1 .73349 0. 68100 1 .68604 1 .75192 2150

2160 0. 59546 1 .53361 1 .71054 0. 63608 I .60685 1 .73131 0. 67634 1 .67791 1 .74989 2160

2170 0. 59113 1 .52571 1

1. . 70820 0. 63161 I .59886 I . 72913 0. 67172 1.66983 1 .74785 2170

2180 0. 58685 1 .51786 I . 70585 0. 62717 1 .59092 1 . 72694 0. 66714 1 .66180 1.74580 2180

2190 0. 58259 1 .51006 I . 70349 0. 62277 1 .58302 1 . 72474 0. 66260 1 .65382 1 .74375 2190

2200 0. 57838 1 .50231 1 .70113 0. 61840 1.57517 1 .72254 0. 65809 1 .64588 1.74169 2200

2210 0. 57419 1 .49460 1 .69876 0. 61407 1 .56736 1 .72033 0. 65362 1 .63798 1 .73963 2210

2220 0. 57005 1 .48693 I .69638 0. 60977 1 .55960 1 .71811 0. 64918 1 .63014 1 .73756 2220

2230 0.56593 1 .47931 I . 69400 0. 60551 1 .55188 1 .71589 0. 64478 1 .62233 1 .73548 2230

2240 0. 56185 1.47174 I .69161 0. 60128 1.54421 1 .71366 0. 64041 1 .61457 1.73340 2240

2250 0. 55781 1 .46421 1 .68921 0. 59709 1 .53658 I .71142 0. 63608 1 .60685 1 .73131 2250

2260 0. 55380 1 .^5612 1 .68681 0. 59293 1 .52899 1 .70918 0. 63179 1 .59918 1 .72922 2260

2270 0. 54982 1 .44928 1L n ^ 0 0 0 X 1 .52145 1X 0. 62752 I .59155 1 .72711

2280 0. 54587 1 .44188 1

1. . O O X 7 o n H47 1 1 .51396 1X 704/^7 0. 62329 1 .58396 1 .72500 ?p8n

2290 0. 54196 1 .43453 1L . O 1 7 ^ O 1 .50650 X1 0. 61909 .57642 1 .72289 ??9n

2300 0. 53808 1 .42721 I .67713 0. 57663 1 .49909 1 .70014 0. 61493 . 56892 1 .72077 2300

2310 0. 53423 1 .41994 I .67469 0. 57263 1 .49172 1 .69787 0. 61080 1 .56146 1 .71864 2310

2320 0. 53041 1 .41271 1L 0. 56867 1 .48439 X » 0 7 J J 7 0. 60670 1 .55404 1 .71651

2330 0. 52662 1 .40553 1 . OO 7 o u 0. 56474 1 .47710 1X . 0 7 J J> u 0. 60263 1 .54666 1 .71437 7'^3n

2340 0. 52286 1 .39838 1X 0. 56084 1 .46985 1X . AQ0 7 1X mX 0. 59860 1 .53932 1 .71223 7 ^40

2350 0. 51914 1 .39128 1 .66488 0. 55697 1 .46265 1 .68871 0. 59459 1 .53202 1 .71008 2350

2360 0. 51544 1 .38421 1 .66241 0. 55313 1 .45548 1 .68641 0. 59062 1 .52477 1 .70792 2360

2370 0. 51177 1 .37719 1X 0. 54932 1 .44835 1X 0.58667 1 .51755 1 .70576

2380 0.50814 1 .37020 1X 9 O J f *T O 0. 54554 1 .44127 1X . AH0 0 X1 7R1 0 0. 58276 1 .51037 1 .70359

2390 0. 50453 1.36326 1X 0. 54180 I .43422 1X 0. 57888 1 .50323 1 .70141 A ^ 7 U

2400 0. 50095 1 .35635 1 .65248 0.53808 1 .42721 1 .67713 0. 57503 1 .49613 1 .69923 2400

2410 0. 49740 1 .34949 1 .64999 0. 53439 1 .42025 1 .67479 0. 57120 1 .48907 1.69705 2410

2420 0. 49388 1 .34266 X . 0*T I *tO 0. 53073 1 .41332 X A 7 p A C 0. 56741 1 .48205 1 .69486

£- ~ J <J 0. 49039 1 .33587 1X A A A Q-/ 0. 52709 1 .40642 1X • A7m 0 f U nX u 0. 56364 1 .47507 1 .69266

0. 48692 1.32912 11 0. 52349 1 .39957 X A A 77 c: 0. 55991 1 .46812 1 .69046

2450 0. 48348 1 .32241 1 .63994 0. 51991 1 .39275 I .66539 0. 55620 1 .46121 1 .68825 2450

2460 0.48007 1 .31574 1 .63741 0. 51636 I .38597 1 .66303 0. 55252 1 .45434 1 .68604 2460

0. 47669 1 .30910 1i A ^ A (1 n 0. 51284 1 .37923 1X A An A A 0. 54887 1 .44750 1 .68382 0 L.~tC\

«- T O V./ 0. 47333 1 .30250 11 0. 50935 1 .37253 1X m 00 OA 7 0. 54524 1 .44070 1 .68159 OA on 0.47000 1 .29593 1i A 9 Q Q n 0. 50588 1 .36586 1X A c; «; Q

0. 54165 1 .43394 1.67936

C ^ V 0. 46670 1 .28941 1X A O 70 C

• Oc. f A 33 0. 50244 1 .35923 X Ac; ^ *i 9 . O? 3 D A 0. 53808 1.42721 1 .67713 A DUU

2510 0. 46342 1 .28292 1 .62470 0. 49903 1 .35263 1 .65113 0. 53453 1 .42052 1 .67488 2510

2520 0. 46017 1 .27646 1 .62214 0.49564 1 .34607 1 .64874 0.53102 1 .41387 1 .67264 2520

2530 0. 45694 1 .27004 1 .61957 0. 49228 1 .33955 1 .64633 0. 52753 1.40725 1 .67039 2530

2540 0. 45374 1 .26366 1 .61700 0. 48894 1 .33306 1 .64393 0. 52406 1 .40066 1 .66813 2540

2550 0. 45057 1 .25731 1 .61443 0. 48563 1 .32660 1 .64151 0. 52062 1 .39411 1 .66587 2550

2560 0. 44741 1 .25100 1 .61185 0. 48234 1 .32018 1 .63910 0. 51721 1 .38760 1.66360 2560

2570 0.44429 1 .24472 1 .60926 0.47908 1 .31380 1 .63667 0. 51382 1 .38112 1 .66133 2570

2580 0 . 44 1 1

1 .23847 1 .60667 0. 47585 1 .30744 I .63425 0. 51046 1 . 37467 1 .65905 2580

2590 0. 43811 1 .23226 1 .60408 0. 47264 1 .30113 1 .63181 0. 50713 1 .36826 1 .65677 2590

638951 O - 62 - 13

CO

P

cm

185
Table 11 Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

V -(f°-e°)/t s° c° -(f°-e°)/t s° c° -(f°-eo)/t s° cm

T =2300. T =2400. T =2500.

2600 0.43505 1 .22609 1 .60148 0.46945 1 .29484 1 .62938 0. 50381 1 .36188 1 .65448 2600

2610 0.43202 1 .21994 1. 59887 0.46629 1.28859 1 .62693 0. 50052 1 .35553 1 .65218 2610

2620 0.42901 1 .21383 1 . 59626 0.46315 I .28238 1 .62449 0. 49726 1 .34922 1 .64989 2620

2630 0.42603 1 .20776 1 .59365 0.46003 1 .27619 1 .62203 0. 49402 1 .34293 1 .64758 2630

2640 0.42307 1 .20171 1 . 59103 0.45694 1 .27004 1 .61957 0. 49081 1.33669 1 .64528 2640

2650 0.42013 1 . 19570 I . 58840 0.45387 1 . 26392 1 .61711 0. 48761 1 .33047 1 .64296 2650

2660 0.41722 1 .18973 1 .58577 0.45083 1 .25784 1 .61464 0. 48444 1 .32429 1 .64065 2660

2670 0.41432 1 . 18378 1 .58314 0.44781 1 .25178 1 .61217 0. 48130 1.31813 1 .63832 2670

2680 0.41145 1 .17787 1 .58050 0.44481 1 .24576 1 . 60970 0. 47818 1 .31201 1 .63600 2680

2690 0. 40860 1 . 17199 1 .57785 0.44183 1 .23977 1 . 60720. 47508 1 .30593 1 .63366 2690

2700 0.40578 1 .16614 1 . 57521 0.43887 1 .23381 1 .60473 0. 47200 1 .29987 1 .63133 2700

2710 0.40297 1 . 16032 1 .57255 0.43594 1 .22788 1 .60224 0.46894 1 .29384 1 .62899 2710

2720 0.40019 1 . 15453 1 .56990 0.43303 1 .22199 1 . 59974 0.46591 1 .28785 1 .62664 2720

2730 0. 39742 1 .14877 1 .56723 0.43014 1 .21612 1 . 59724 0. 46290 I .28188 1 .62429 2730

2740 0. 39468 1 . 14305 1 . 56457 0.42727 1 .21028 1 . 59474 0. 45991 1 .27595 1 .62193 2740

2750 0.39196 1 .13735 1 .56190 0.42442 1 .20448 1 .59223 0. 45694 1 .27004 1 .61957 2750

2760 0.38926 1 .13169 1 .55922 0.42160 1 . 19870 1 .58971 0. 45400 1 .26417 1.61721 2760

2770 0.38658 1 .12606 I .55655 0.41879 1 .19296 1 . 58720 0. 45107 1 .25832 1 .61484 2770

2780 0.38392 1 .12045 1 .55386 0.41601 1 . 18724 1 . 58467 0. 44817 1 .25251 1 .61247 2780

2790 0. 38128 1 .11488 1 .55118 0.41324 1 .18156 1 .58215 0. 44529 1 .24672 1 .61009 2790

2800 0. 37866 1 .10933 1 . 54848 0.41050 1 . 17590 1 . 57962 0. 44242 1.24097 1 .60771 2800

2810 0.37606 1 .10382 1 .54579 0.40778 1 . 17028 1 .57708 0. 43958 1 .23524 1 .60532 2810

2820 0.37348 1 .09833 1 .54309 0.40507 1 . 16468 1 .57454 0.43676 1 .22954 1 .60293 2820

2830 0.37092 1 .09287 1 .54039 0.40239 1 .15911 1 .57200 0. 43396 1 .22387 1.60054 2830

2840 0.36838 1 .08744 1 .53768 0.39973 1. 15357 1 .56945 0. 43118 1 .21823 1 .59814 2840

2850 0.36586 1 .08204 1 .53497 0.39708 1 .14806 1 .56690 0. 42842 1 .21262 1 .59574 2850

2860 0.36336 1 .07667 1 .53226 0.39446 1.14257 1 .56435 0. 42567 I .20703 1 .59333 2860

2870 0.36087 1 .07133 1.52954 0.39185 1 . 13712 1 .56179 0. 42295 1 .20147 1 .59092 2870

2880 0.35841 I .06601 1 . 52682 0.38926 1 . 13169 1 .55922 0. 42025 1 .19594 1 .58851 2880

2890 0.35596 1.06072 1 .52409 0.38669 1 .12629 1 . 55666 0. 41756 1 .19044 1 .58609 2890

2900 0.35353 1 .05546 1 .52136 0.38414 1 .12092 1 .55409 0. 41490 1 .18497 1 .58366 2900

2910 0.35112 1 .05023 1 .51863 0.38161 1 .11557 1 .55151 0. 41225 1 .17952 1.58124 2910

2920 0.34872 I .04503 1.51589 0.37910 1 .11025 1 .54893 0. 40963 1 .17410 1 .57881 2920

2930 0.34635 1 .03985 1 .51315 0.37660 1 .10496 1 .54635 0. 40702 1 . 16871 1 .57637 2930

2940 0.34399 1 .03470 1 .51041 0.37413 1 .09970 1 .54377 0. 40443 1 .16334 1 .57393 2940

2950 0.34165 1 .02957 1 .50766 0.37167 1 .09446 1 . 541 18 0. 40186 1 . 15800 1.57149 2950

2960 0.33932 1.02448 1 .50491 0.36923 1 .08925 1 .53858 0. 39930 1 .15269 1 .56905 2960

2970 0.33702 1 .01941 1 .50216 0.36680 1 .08406 1 .53599 0. 39676 1 .14740 1.56660 2970

2980 0.33473 1.01436 1 .49940 0.36440 1 .07891 1 .53339 0. 39425 1 .14214 1 .56414 2980

2990 0.33246 1 .00934 1 .49664 0.36201 1 .07377 1 .53078 0. 39175 1 . 13690 1 .56169 2990

3000 0.33020 1 .00435 1 .49388 0.35964 I .06867 1 .52818 0.38926 1 .13169 1 .55922 3000

3010 0.32796 0 .99938 1 .49111 0.35728 I .06359 1 .52557 0. 38680 1 . 12650 1 .55676 3010

3020 0.32574 0 .99444 1 .48834 0.35494 1 .05853 1 .52295 0. 38435 1 .12135 1 .55429 3020

3030 0.32353 0 .98953 1 .48557 0.35262 1 .05350 1 .52034 0. 38191 1 .11621 1 .55182 3030

3040 0.32134 0 .98464 1 .48279 0.35032 1 .04849 1 .51772 0. 37950 1 .11110 1 .54935 3040

3050 0.31917 0 .97977 1 .48002 0.34803 1.04351 1 .51509 0. 37710 1 .10602 1 .54687 3050

3060 0.31701 0 .97493 1 .47723 0.34576 1 .03856 1 .51247 0. 37472 1 .10096 1 .54439 3060

3070 0.31487 0 .97012 1 .47445 0.34350 1 .03363 1 .50984 0. 37235 1 .09592 1 .54190 3070

3080 0.31274 0 .96533 1 .47166 0.34126 1 .02872 1 .50720 0.37001 1 .09091 1.53941 3080

3090 0.31063 0 .96056 1 .46887 0.33904 1 .02384 1 .50457 0. 36767 1 .08593 1 .53692 3090

c°

p

V

-1

186
V

-1 cm

Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

•(F°-Eo)/T S° c°

p

-(f°-e°)/t s° c°

p

-(f°-e°)/t s° CO

p

V

cm

T=2300. T=2400. T=2500.

3100 0. 30854 0. 95582 1 .46608 0. 33683 1

01898 1 .50193 0. 36536 1 . 08097 1 .53443 3100

3110 0. 30646 0.95110 1 .46329 0. 33463 1

0141

1 .49929 0. 36306 . 07603 1.53193 31 10

3120 0.30439 0. 94641 1 .46049 0. 33246 \ , 00934 1 .49664 0. 36077 .07111 1.52943 3120

3130 0. 30234 0.94174 1 .45769 0. 33030 \, 00456 1 .49399 0. 35850 . 06622 1 . 52692 3130

3140 0. 30031 n 1 .45489 0. 32815 0. 99980 1 .49134 0. 35625 1 .06136 1.52442 3140

3150 0. 29829 n 7 J d ( 1.45208 0. 32602 0. 99506 1 .48869 0. 35401 1 .0565

1.52191 3150

0. 29628 0. 92787 1 .44927 0.32390 0. 99034 1 .48603 0. 35179 .05169 1.51939 3160

0.29429 0. 92330 1 .44646 0. 32180 0. 98565 1 .48337 0. 34958 11. . W ~U / X . ^ X U O V

0.29231 0. 91875 1 .44365 0. 31971 0. 98099 1.48071 0. 34739 1 .04212 11. . S 1t 4'^ft ^ ^1 RO

0. 29035 0. 91422 1 .44084 0. 31764 0. 97634 1 .47805 0. 34521 1 .03737 'K 1 QO

3200 0. 28840 0. 90972 1 .43802 0. 31558 0. 97172 1 .47538 0. 34305 1 .03265 1.50931 3200

3210 0. 28646 0. 90523 1 .43520 0. 31354 0. 96712 1 .47271 0. 34090 1 .02794 1.50678 3210

3220 0. 28454 0. 90077 1 .43238 0. 31151 0. 96254 1 .47004 0.33877 1 .02326 1.50425 3220

3230 0. 28264 0. 89634 1 .42955 0. 30950 0. 95799 1 .46736 0. 33665 1 .01860 1.50172 3230

3240 0.28074 0. 89192 1 .42673 0. 30750 0. 95346 1 .46468 0. 33455 1 .01396 1.49918 3240

3250 0. 27886 0. 88753 1 .42390 0. 30551 0. 94895 1 .46201 0. 33246 1 .00934 1.49664 3250

3260 0. 27700 0. 88316 1 .42107 0.30354 0. 94446 1 .45932 0. 33038 1 .00475 1.49410 3260

3270 0. 27515 0. 87881 1 .41824 0.30158 0.93999 1 .45664 0. 32832 1 .00018 1.49155 3270

3280 0. 27331 0. 87448 1 .41541 0. 29963 0. 93555 1 .45395 0. 32627 0.99563 1.48901 3280

3290 0. 27148 0. 87018 1 .41257 0. 29770 0. 93113 1 .45126 0. 32424 0 .99110 1.48646 3290

3300 0. 26967 0. 86590 1 .40973 0. 29578 0.92673 1.44857 0. 32222 0.98659 1.48390 3300

3310 0.26787 0. 86164 1.40689 0. 29387 0. 92235 1.44588 0.32021 0.98210 1.48135 3310

3320 0. 26608 0. 85740 1 .40405 0. 29198 0. 91799 1.44318 0.31822 0.97764 1.47879 3320

3330 0. 26430 0.85318 1 .40121 0. 29010 0. 91366 1.44048 0. 31624 0.97320 1.47623 3330

3340 0.26254 0. 84898 1 .39836 0. 28824 0. 90934 1.43778 0. 31427 0.96877 1.47367 3340

3350 0. 26079 0. 84480 1 .39552 0.28638 0. 90505 1.43508 0. 31232 0.96437 1.47111 3350

3360 0. 25906 0. 84065 1 .39267 0.28454 0. 90077 1.43238 0. 31038 0.95999 1.46854 3360

3370 0. 25733 0. 83652 1 .38982 0. 28272 0. 89652 1.42967 0. 30845 0.95563 1.46597 3370

3380 0. 25562 0. 83240 1 .38697 0. 28090 0.89229 1.42696 0. 30654 0.95129 1.46340 3380

3390 0. 25392 0. 82831 1 .38412 0. 27910 0. 88808 1,42425 0. 30464 0.94697 1.46083 3390

3400 0. 25223 0. 82424 1.38126 0.27731 0. 88389 1. 42154 0. 30275 0. 94267 1 .45825 3400

3410 0. 25055 0. 82018 1.37841 0.27553 0. 87971 1. 41883 0. 30087 0. 93839 1 .45567 3410

3420 0. 24889 0. 81615 1.37555 0.27376 0. 87556 1. 41611 0. 29901 0. 93413 1 .45309 3420

3430 0. 24724 0. 81214 1.37269 0.27201 0. 87143 1. 41340 0. 29716 0. 92990 1 .45051 3430

3440 0. 24559 0. 80815 1.36984 0.27027 0. 86732 1. 41068 0. 29532 0- 92568 1 .44792 3440

3450 0. 24396 0. 80417 1 .36698 0.26854 0. 86323 1 .40796 0. 29350 0. 92148 1.44534 3450

3460 0. 24235 0. 80022 1 .36411 0.26682 0.85916 1 .40524 0. 29168 0. 91730 1.44275 3460

3470 0. 24074 0. 79629 1 .36125 0.26512 0. 85511 1.40251 0. 28988 0. 91314 1.44016 3470

3480 0. 23914 0. 79238 1 .35839 0.26342 0. 85108 1 .39979 0. 28809 0. 90900 1.43757 3480

3490 0. 23756 0. 78848 1 .35552 0.26174 0. 84706 1 .39706 0.28631 0. 90488 1.43497 3490

3500 0. 23599 0. 78461 1 .35266 0.26007 0. 84307 1 .39433 0. 28454 0. 90077 1.43238 3500

3510 0. 23443 0. 78075 1 .34979 0.25841 0. 83910 1 .39160 0. 28279 0. 89669 1.42978 3510

3520 0. 23287 0. 77692 1 .34692 0.25676 0. 83514 1 .38887 0. 28105 0. 89263 1.42718 3520

3530 0. 23133 0. 77310 1 .34405 0.25512 0.83121 1 .38614 0. 27931 0. 88858 1.42458 3530

3540 0. 22981 0. 76930 1 .34118 0.25349 0. 82729 1 .38340 0. 27759 0. 88456 1.42198 3540

3550 0. 22829 0. 76552 1 .33831 0.25188 0. 82339 1 .38067 0. 27589 0. 88055 1.41937 3550

3560 0. 22678 0. 76176 1 . 33544 0.25027 0. 81951 1 .37793 0. 27419 0. 87656 1.41677 3560

3570 0. 22528 0. 75802 1 .33257 0.24868 0. 81565 1 .37520 0. 27250 0. 87259 1.41416 3570

3580 0. 22379 0. 75430 1 .32970 0.24710 0. 81181 1 .37246 0. 27083 0. 86864 1.41155 3580

3590 0. 22232 0. 75059 1 .32683 0.24553 0. 80798 1 .36972 0. 26916 0. 86470 1.40894 3590

187
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

-(F0-E°)/T S° c°

p

-(f°-e°)/t c°

p

s° CO

p -1 -1 cm cm

T=2300. T=2400. T=2500.

3600 0. 22085 0 . 74690 1X . 32395 0. 24396 0. 80417 1 .36698 0.26751 0.86079 1 .40632

3610 0. 21939 0 . 74324 1

M, .32108 0. 24241 0. 80039 1 .36423 0. 26587 0. 85689 1 .40371

3620 0. 21795 0. 73959 \ .31 820 0. 24087 0.79662 1 .36149 0. 26423 0. 85301 1.40109

3630 0. 21651 0.73595 1 .31533 0. 23934 0. 79286 1 .35875 0. 26261 0. 84915 1 .39848 3630

3640 0.21509 0.73234 1 .31245 0. 23782 0. 78913 1 .35600 0. 26 100 0.84530 1 .39586 3640

j\j 0. 21367 11 . '^n9S8 T J O n\j . 0.78541 1 .35325 0 0. 84148 1 .39324

0. 21226 n 7 p <? 1 A 1L nu . c. o^o c 0. 78172 1.35051 0. 83767 1.39062

0. 21087 n 7 ? 1 A n 1X nu . C.7 J ^J J J 0.77803 1 .34776 0. 25623 0.83388 1 .38800 A7n

3680 0. 20948 0.71806 1 .30095 0. 23185 0. 77437 1 .34501 0. 25466 0. 83011 1 m J \J J ^ 9 3680

3690 0208 10 0.71453 1 .29807 0. 23038 0. 77072 1 .34226 0. 25311 0. 82635 1X m J c. 1 J 3690

J M \J\J 0. 20674 n 7 1109 1L £.£.07^ 0. 76710 1 .33951 0. 25156 0. 82261 1 "^700 J 1 yjyj 0. 20538 Urn f \J 1 D J

1L n t ^ 1 *T 1 0. 76348 1 .33676 0. 25002 0. 81889 1 .37749 1 7 1 n 0. 20403 nyj • 7n^nA 1 \J*rUO 1

J. V/ . 0. 75989 1 .33401 0. 24849 0. 81519 1 .37487 "^7 ?n

3730 0. 20269 0.70060 1 .28656 0. 22460 0. 75631 1 .33126 0. 24697 0. 81150 \ . 37224 3730

3740 0. 20136 0.69716 1 .28368 0. 22318 0. 75275 1 .32850 0. 24546 0. 80783 1 .36961 3740

'^7'in 0. 20004 1

i. . £. O \J 0\J n\j . 7? 1 77 0.74921 1 .32575 0. 24396 0. 80417 1 .36698

-J 1 KJ \J 0. 19873 0.690"^'* 1

1. . 27792 0 . 22036 0. 74568 1 .32299 0. 24248 0. 80054 1 .36434 3760

3770 0. 19742 0 . ft R/i94 1 . 27504 21897 0. 74217 1 .32024 0. 24100 0. 79692 1 .36171 3770

3780 0. 19613 0.68356 I .27216 0. 21759 0. 73868 1 .31748 0. 23953 0. 79331 1 .35907 3780

3790 0. 19484 0.68020 1 .26929 0. 21621 0. 73520 1 .31473 0.23807 0.78973 1 .35644 3790

3800 0. 19357 0. 67686 1 .26641 0. 21485 0. 73174 1 .31197 0. 23662 0.78616 1 .35380 3800

3810 0. 19230 0.67354 1 .26353 0. 21349 0. 72829 1 .30922 0. 23517 0. 78260 1 .35117 38 10

3820 0. 19104 0.67023 1 .26065 0. 21215 0. 72487 1 .30646 0. 23374 0. 77906 1 .34853 3820

3830 0. 18979 0.66694 1 .25777 0. 21081 0. 72145 1 .30370 0. 23232 0. 77554 1 .34589 3830

3840 0. 18855 0.66366 1 .25490 0. 20948 0. 71806 1.30094 0. 23091 0. 77203 1 .34325 3840

3850 0. 18732 0.66040 1 .25202 0. 20816 0. 71468 1 .29819 0. 22950 0. 76854 1 .34061 3850

3860 0. 18609 0.65716 1 .24914 0. 20685 0. 71131 1 .29543 0. 22810 0. 76507 1 .33797 3860

3870 0. 18488 0.65393 1 .24627 0. 20555 0.70797 1.29267 0. 22672 0. 76161 1 .33533 3870

3880 0. 18367 0.65072 1 .24339 0. 20425 0. 70463 1 .28991 0. 22534 0. 75817 1 .33269 3880

3890 0. 18247 0.64752 1 .24052 0. 20297 0. 70132 1 .28715 0. 22397 0. 75474 1 .33004 3890

3900 0.18128 0.64434 1 .23764 0. 20169 0.69802 1 .28440 0. 22261 0. 75133 1 .32740 3900

3910 0. 18009 0.64117 1.23477 0. 20042 0. 69473 1 .28164 0. 22126 0. 74794 1.32476 3910

3920 0. 17892 0.63802 1 .23190 0. 19916 0. 69146 1 .27888 0.21992 0. 74455 1 .32211 3920

3930 0. 17775 0.63489 1 .22902 0. 19791 0. 68821 1 .27612 0. 21858 0. 74119 1 .31947 3930

3940 0. 17659 0.63177 1 .22615 0. 19667 0. 68497 1 .27336 0. 21726 0. 73784 1 .31682 3940

3950 0. 17544 0.62867 1 .22328 0. 19543 0. 68174 1 .27060 0. 21594 0. 73451 1 .31418 3950

3960 0. 17430 0.62558 1 .22041 0. 19420 0. 67853 1 .26785 0. 21463 0. 73119 1 .31153 3960

3970 0. 17316 0.62250 1 .21754 0. 19299 0. 67534 1 .26509 0. 21333 0. 72788 1 .30889 3970

3980 0. 17203 0.61944 1 .21467 0. 19177 0. 67216 1 .26233 0. 21204 0. 72459 1 .30624 3980

3990 0. 17091 0.61640 1 .21180 0. 19057 0. 66899 1 .25957 0. 21076 0. 72132 1 .30359 3990

4000 0.16980 0.61337 1.20893 0.18938 0.66585 1.25682 0.20948 0.71806 1.30094 4000

188
V

cm

-1

Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

-(f°-e°)/t s° c°

p

-(Fo-E°)/T s° eg -(F°-Eo)/t s° COP cm

-1

T= 2600. T= 2700. T= 2800.

100 5. 80617 7. 73886 1 .98666 5. 87915 7. 81384 1 .98670 5. 94954 7. 88609 1 .98673 100

110 5. 62222 7. 54952 1 .98656 5. 69500 7. 62449 1 .98660 5. 76520 7. 69674 1 .98664 110

120 5. 45475 7. 37667 1 . 98644 5. 52733 7. 45164 1 .98649 5. 59735 7. 52389 1 .98654 120

130 5. 30113 7. 21768 1 . 98631 5. 37351 7. 29264 1 .98638 5. 44335 7. 36488 1 .98643 130

140 5. 15929 7. 07048 1 .98618 5. 23147 7. 14544 1 .98625 5. 30113 7. 21768 1 .98631 140

150 5.02762 6. 93345 1 .98603 5. 09960 7. 00841 1 .98611 5. 16907 7. 08064 1 .98619 150

160 4. 90479 6. 80528 1 .98587 4. 97657 6. 88023 1 .98597 5. 04586 6. 95246 1 .98605 160

170 4. 78973 6. 68489 1 .98570 4. 86132 6. 75984 1 .98581 4. 93042 6. 83206 1 .98591 170

180 4. 68156 6. 57140 I .98553 4. 75295 6. 64634 1.98565 4. 82187 6. 71855 1 .98575 180

190 4. 57952 6. 46405 1 .98534 4. 65071 6. 53898 1 .98547 4. 7 1945 6. 61119 1 .98559 190

200 4. 48299 6. 36222 1 .98514 4. 55399 6. 43715 1 .98529 4. 62254 6. 50935 1 .98542 200

210 4. 39143 6. 26537 1 .98493 4. 46223 6. 34029 1 .98510 4. 53060 6. 41248 1 .98524 210

220 4. 30438 6. 17304 1 .98472 4. 37498 6. 24795 1 .98490 4. 44317 6. 32013 1 .98505 220

230 4. 22143 6. 08482 1 .98449 4. 29184 6. 15972 1.98468 4. 35985 6. 23190 1 .98486 2 30

240 4. 14224 6.00037 1 .98425 4. 21245 6. 07526 1 .98446 4. 28028 6. 14743 1 .98465 240

250 4. 06649 5. 91937 1 .98400 4. 13651 5. 99425 1 .98423 4. 20415 6. 06642 1.98444 250

260 3. 99392 5. 84156 1 .98375 4. 06375 5. 91643 1 .98399 4. 13121 5. 98859 1 .98422 260

270 3. 92429 5. 76670 1 . 98348 3. 99392 5. 84156 1 .98375 4. 06120 5. 91371 1 .98399 270

280 3. 85738 5.69457 1 . 98320 3. 92682 5. 76942 1.98349 3. 99392 5. 84156 1 .98375 280

290 3. 79300 5. 62498 1 .98291 3. 86224 5. 69982 1 .98322 3. 92917 5. 77195 1.98350 290

300 3. 73098 5. 55776 1 .98261 3. 80003 5. 63259 1 .98294 3. 86678 5.70471 1 .98324 300

310 3. 67116 5. 49276 1 .98230 3. 74003 5. 56758 1 .98266 3. 80659 5. 63969 1 .98297 310

320 3. 61341 5. 42983 1 .98199 3. 68208 5. 50463 1 .98236 3.74847 5. 57673 1 .98270 320

330 3. 55760 5. 36884 1 .98166 3. 62608 5. 44364 1.98206 3. 69228 5. 51573 1 .98242 330

340 3. 50360 5. 30969 1 .98132 3. 57189 5. 38447 1 .98174 3. 63792 5. 45655 1 .98212 340

350 3. 45132 5. 25226 I .98097 3. 51942 5. 32703 1 .98142 3. 58527 5. 39910 1 .98182 350

360 3. 40066 5. 19646 1 .98061 3. 46857 5. 27122 1 .98109 3. 53424 5. 34327 1 .98151 360

370 3. 35153 5. 14220 1 .98024 3. 41924 5. 21694 1 .98074 3. 48474 5. 28899 1 .98119 370

380 3. 30384 5.08939 1 .97986 3. 37137 5. 16412 1 .98039 3.43669 5. 23616 1 .98087 380

390 3. 25753 5. 03797 1 .97947 3. 32486 5. 11269 1 .98003 3. 39001 5. 18471 1 .98053 390

400 3. 21252 4. 98786 1 .97908 3. 27966 5. 06256 1 .97966 3. 34463 5. 13457 1 .98019 400

410 3. 16874 4. 93900 1 .97867 3. 23570 5. 01368 1 .97928 3. 30049 5. 08568 1 .97984 410

420 3. 12614 4. 89132 1 .97825 3. 19291 4. 96599 1 .97890 3. 25753 5. 03797 1 .97947 420

430 3. 08467 4. 84478 1 .97782 3. 15125 4. 91943 1 .97850 3. 21569 4. 99140 1 .97910 430

440 3. 04426 4. 79931 1 .97738 3. 11065 4. 87395 1 .97809 3. 17492 4. 94590 1 .97873 440

450 3. 004B8 4. 75488 1 .97693 3. 07108 4. 82950 1 .97767 3. 13518 4. 90144 1.97834 450

460 2. 96647 4. 71143 1 .97647 3. 03249 4. 78604 1 .97725 3. 09641 4. 85796 1 .97T94 460

470 2. 92900 4. 66893 1 .97601 2. 99483 4. 74352 1 .97681 3. 05857 4. 81543 1 .97754 470

480 2. 89242 4. 62734 1 .97553 2. 95806 4. 70191 1 .97637 3. 02163 4. 77380 1 .97713 480

490 2. 85669 4. 58661 1 .97504 2. 92215 4. 66116 1 .97592 2. 98555 4. 73304 1 .97670 490

500 2. 82180 4. 54671 1.97454 2. 88707 4. 62125 1 .97546 2. 95030 4. 69311 1.97627 500

510 2. 78769 4. 50761 1 .97403 2. 85278 4. 58213 1 .97498 2. 91583 4. 65397 1 .97584 510

520 2. 75434 4.46929 1 .97351 2. 81924 4. 54379 1 .97450 2. 88212 4. 61561 1 .97539 520

530 2. 72172 4. 43170 1 .97299 2. 78644 4. 50618 1 .97401 2. 84915 4. 57799 1 .97493 530

540 2. 68980 4. 39483 1 .97245 2. 75434 4. 46929 1 .97351 2. 81688 4. 54108 1 .97447 540

550 2. 65856 4. 35864 1 .97190 2. 72291 4. 43308 1 .97301 2. 78528 4. 50485 1 .97400 550

560 2. 62797 4. 32311 1 .97134 2. 69214 4. 39753 1 .97249 2. 75434 4. 46929 1 .97351 560

570 2. 59801 4. 28823 1 .97078 2. 66200 4. 36263 I .97196 2. 72402 4. 43436 1 .97302 570

580 2. 56866 4. 25396 1 . 97020 2. 63246 4. 32834 1 .97143 2. 69432 4. 40005 1 .97253 580

590 2. 53989 4. 22028 1 .96961 2. 60351 4. 29464 1 .97088 2. 66520 4. 36634 1 .97202 590

189
cm

-1

Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

-(F°-Eg)/T S° C°P -(f°-e°)/t S° GO

P

-(f°-e°)/t

p

V

cm

T =2600. T= 2700. T = 2800.

600 2 .51169 4 .18718 1 .96901 2 .57513 4. 26152 1 .97033 2 .63665 4. 33320 1 .97150

610 2 . 48404 4 .15464 1 -96841 2 .54730 4. 22896 1 .96976 2 .60864 4. 30061 1 .97098

620 2 .45691 4 . 12264 1 . 96779 2 .51999 4. 19693 1 .96919 2 .58117 4. 26857 1 . 97045

630 2 .43030 4 .09116 1 .96716 2 .49319 4. 16543 1 .96861 2 .55420 4. 23705 1 . 96991

640 2 .40418 4 .06018 1 . 96653 2 . 46690 4. 13443 1 . 96802 2 .52774 4. 20603 1 . 96936

650 2 .37854 4 .02970 1 .96588 2 .44108 4. 10392 1 .96742 2 .50175 4. 17550 1 .96880

660 2 .35337 3 .99969 1 .96523 2 .41573 4. 07389 1 . 9668

2 . 47623 4. 14544 1 .96823

670 2 .32865 3 . 970 14 1 . 96456 2 .39083 4. 04432 I . 966 19 2 .45117 4. 11585 1 . 96766

680 2 . 30437 3 . 94 1C4 1 .96389 2 .36637 4. 01519 1 . 96557 2 . 42654 4. 08670 1 . 96707

690 2 .28051 3 .91238 1 . 96320 2 .34233 3. 93650 1 . 96493 2 .40233 4. 05799 1 . 96648

700 2 .25706 3 .88413 1 .96251 2 .31870 3. 95823 1 .96429 2 .37854 4. 02970 1 .96588

710 2 .23402 3 . 85630 1 .96180 2 .29548 3. 93038 1 . 96363 2 .35515 4. 00182 1 .96527

720 2 .21136 3 .82887 1 .96109 2 .27265 390292 1 . 96297 2 . 33215 3. 97434 1 .96466

730 2 . 18908 3 .80182 1 . 96036 2 .25019 3. 87585 1 . 96230 2 .30953 3. 94724 1 . 96403

740 2 .16717 3 .77516 1 .95963 2 .22811 3. 8491 5 1 . 96162 2 .28728 3. 92052 1 . 96340

750 2 . 14562 3 .74886 1 .95889 2.20638 3. 82283 1 .96093 2 .26539 3. 89417 1 .96276

760 2 . 12442 3 .72292 1 .95814 2 . 18500 3. 79686 1 .96023 2 . 24384 3. 86818 1 .96211

770 2 . 10355 3 .69732 1 .95737 2 . 16396 3 . 77124 1 . 95952 2 .22264 3. 84254 1 .96145

780 2 .08302 3 .67207 1 .95660 2 .14325 3. 74596 1 .95381 2 .20177 3. 8172 3 1 .96078

790 2 .06280 3 .64715 1 .95582 2 .12286 3. 72101 1 .95808 2 .18121 3. 79226 1 . 96010

800 2 .04290 3 .62256 1 .95503 2 .10278 3. 69638 1 .95735 2 . 16098 3. 76761 1 .95942

810 2 .02331 3 .59827 1 . 95423 2 . 08302 3. 6 7207 1 . 95660 2 .14105 3. 7432 7 1 .95873

820 2 . 0040

3 . 57430 1 .95342 2 .06355 3. 64307 1 .95585 2 .12141 3. 71924 1 .95803

830 1 .98501 3 .55063 1 .95260 2 .04437 3. 62437 1 . 95509 2 . 10207 3. 6955 1 1 .95732

840 1 . 96628 3 .52725 1 .95177 2 .02547 3. 60096 1 .9543? 2 .08302 3. 67207 1 .95660

850 1 .94784 3 .50415 1 .95093 2 .00685 3. 57783 1 .95354 2 .06424 3. 64892 1 .95588

860 1 .92966 3 .48134 1 . 95008 1 .98850 3. 55499 1 .95275 2 .04573 3. 62605 1 .95514

870 1 .91 175 3 .45880 1 .94923 1 .97042 3. 53242 1 . 95 196 2 .02748 3. 60345 1 . 95440

880 1 .89410 3 .43653 1 , 94836 1 .95259 3. 51011 1 .95115 2 .00950 3. 581 12 1 . 95365

890 1 .87669 3 .41452 1 . 94748 1 .93502 3. 48807 1 .95034 1 .99176 3. 55905 1 .95289

900 1 .85954 3 .39276 1 .94660 1 .91769 3. 46628 1 .94951 1 .97427 3. 53723 1 .95213

910 1 .84262 3 .37126 1 . 94570 1 .90061 3. 44475 1 . 94868 1 .95703 3. 51567 1 .95135

920 1 .82594 3 .35000 1 . 94480 1 .88375 3. 42345 1 . 94784 1 .94002 3. 49434 1 .95057

930 1 .80949 3 .32898 1 . 94388 1 .86713 3. 40240 1 . 94699 1 .92324 3. 47326 1 .94978

940 1 . 79326 3 . 30 819 1 . 94296 1 .85074 3. 38158 1 .94613 1 .90668 3. 45241 1 .94898

950 1 .77725 3 .28764 1 . 94203 1 .83456 3. 36099 1 .94527 1 .89035 3. 43179 1 .94817

960 1 .76146 3 .26731 1 .94109 1 .81860 3. 34063 1 . 94439 1 . 87423 3. 41139 1 . 94736

970 1 .74588 3 .24720 1 . 94013 1 .80285 3. 32048 1 . 9435

1 .85832 3. 39122 1 .94653

980 1 .73050 3 .22730 1 .93917 1 .78731 3. 30055 1 . 94262 1 . 84262 3. 37126 1 .94570

990 1 .71533 3 . 20762 1 . 93820 1 .77197 3. 28084 1 .94172 1 .82712 3. 35151 1 .94486

1000 1 .70036 3 .18815 1 .93723 1 .75682 3. 26133 1 .94081 1 .81182 3. 33197 1 .94402

1010 1 .68557 3 . 16887 1 .93624 1 .74187 3. 24202 1 .93989 1 .79672 3. 31263 1 .94316

1020 1 .67098 3 .14980 1 .93524 1 .72712 3. 22291 1 .93896 1 .78180 3. 29349 1 .94230

1030 1 .65658 3 .13093 I .93423 1 .71254 3. 20400 1 .93802 1 .76708 3. 27454 1 .94142

1040 1 .64235 3 .11224 1 .93322 1 .69815 3. 18528 1 .93708 1 .75253 3. 25579 1 .94054

1050 1 .62831 3 .09375 1 .93219 1 .68394 3. 16675 1 .93613 1 .73817 3. 23722 1 .93966

1060 1 .61444 3 .07544 1 .93116 1 .66991 3. 14340 I .93517 1 .72398 3. 21884 1 .93876

1070 1 .60074 3 .05731 1 .93011 1 .65605 3. 13023 1 .93420 1 .70996 3. 20064 1 .93786

1080 1 .58721 3 .03936 1 .92906 1 .64235 3. 11224 1 .93322 1 .69611 3. 18262 1 .93694

1090 1 .57385 3 .02159 1 .92800 1 .62882 3. 09443 1 .93223 1 .68243 3. 16477 1 .93602

60(

61(

621

63(

641

65(

661

67(

68<

69(

70(

71(

721

731

74(

75(

76C

77(

78(

79(

80(

81(

82C

83(

84(

85(

86(

87(

88(

89(

90C

91C

920

930

940

950

960

970

980

990

1000

1010

1020

1030

1040

1050

1060

1070

1080

1090

190
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

1/-1 cm

(F°-Eg)/T S° COP -(f°-e°)/t s° c° (f°-e°)/t s° c°

p

V

-1 cm

T= 2600. T= 2700. T = 2800 .

1100 1 .56065 3. 00398 1 .92693 1 .61546 3. 07679 1. 93123 1 .66891 3. 14709 1 .93510 1100

1110 1 .54760 2. 98655 1 .92585 1 .60225 3. 05932 1. 93023 1 .65555 3. 12959 1 .93416 1110

1120 1 .53472 2. 96928 1 .92476 1 .58921 3. 04201 1. 92922 1 .64235 3. 11224 1 .93322 1120

1130 1 .52199 2. 95218 1 .92366 1 .57631 3. 02487 1. 92820 1 .62931 3. 09506 1 .93227 1130

1140 1 .50940 2. 93523 1 .92256 1 .56357 3. 00788 1. 92717 1 .61641 3. 07804 1 .93131 1140

1150 1 .49697 2. 91845 1 .92144 1 .55097 2. 99105 1. 92613 1 .60366 3. 06118 1 .93034 1150

1160 1 .48468 2. 90182 1 .92032 1 .53852 2. 97438 1. 92508 1 .59106 3. 04447 1 .92936 1160

1170 1 .47254 2. 88534 1 .91918 1 .52621 2. 95786 1. 92403 1 .57860 3. 02791 1 .92838 1170

1180 1 .46053 2. 86901 1 .91804 1 .51405 2. 94149 I. 92297 1 .56628 3. 01151 1 .92739 1180

1190 1 .44866 2. 85283 1 .91689 1 .50202 2. 92527 1. 92190 1 .55411 2. 99525 1 .92639 1190

1200 1 .43693 2. 83679 1 .91573 1 .49013 2. 90919 1. 92082 1. 54206 2. 97913 1 .92538 1200

1210 1 .42533 2. 82090 1 .91456 1 .47837 2. 89325 1. 91973 1. 53015 2. 96316 1 .92437 1210

1220 1 .41386 2. 80515 1 .91338 1 .46674 2. 87746 1. 91863 1. 51838 2. 94732 1 .92335 1220

1230 1 .40252 2. 78953 1 .91219 1 .45524 2. 86180 1. 91753 1. 50673 2. 93162 1 .92232 1230

1240 1 .39131 2. 77405 1 .91100 1 .44387 2. 84628 1. 91642 1. 49521 2. 91606 1 .92128 1240

1250 1. 38022 2.75871 1 .90979 1 .43262 2. 83089 1. 91530 1 .48381 2. 90064 1 .92023 1250

1260 1. 36925 2.74350 1 .90858 1 .42149 2. 81563 1. 91417 1 .47254 2. 88534 1 .91918 1260

1270 1. 35841 2.72841 1 .90736 1 .41049 2. 80051 1. 91303 1 .46138 2. 87017 1 .91812 1270

1280 1. 34768 2.71346 1 .90613 1 .39960 2. 78551 1. 91 188 1 .45035 2. 85513 1 .91705 1280

1290 1. 33706 2.69863 1 .90489 1 .38883 2. 77063 1. 91073 1 .43943 2. 84022 1 .91598 1290

1300 1 .32657 2. 68392 1 .90364 1 .37818 2. 75588 1. 90957 1. 42863 2. 82543 1. 91489 1300

1310 1 .31618 2. 66934 1 .90238 1 .36764 2. 74125 1. 90840 1. 41794 2. 81076 1. 91380 1310

1320 1 .30591 2. 65488 1 .90112 1 .35721 2. 72675 1. 90722 1. 40737 2. 79621 1. 91270 1320

1330 1 .29574 2. 64054 1 .89984 1 .34689 2. 71236 1. 90604 1. 39690 2. 78178 1. 91160 1330

1340 1 .28568 2. 62631 1 .89856 1 .33667 2. 69808 1. 90484 1. 38654 2. 76746 1. 91048 1340

1350 1 .27573 2. 61220 1. 89727 1 .32657 2. 68392 1. 90364 1. 37629 2. 75326 1 .90936 1350

1360 1 .26588 2. 59820 1. 89597 1 .31656 2. 66988 1. 90243 1. 36614 2. 73917 1 .90823 1360

1370 1 .25614 2. 58432 1. 89466 1 .30666 2. 65595 1. 90121 1. 35610 2. 72520 1 .90710 1370

1380 1 .24649 2. 57054 1. 89335 1 .29687 2. 64212 1. 89999 1. 34615 2. 71133 1 .90595 1380

1390 1 .23695 2. 55688 1. 89202 1 .28717 2. 62841 1. 89875 1. 33631 2. 6975 7 1 .90480 1390

1400 1 .22750 2. 54332 1. 89069 1 .27757 2. 61480 1. 89751 1. 32657 2. 68392 1 .90364 1400

1410 1 .21815 2. 52987 1. 88935 1 .26806 2. 60130 1. 89626 1. 31692 2. 67038 1 .90247 1410

1420 1.20890 2. 51652 1. 88800 1 .25866 2. 58791 1. 89500 1. 30737 2. 65694 1 .90130 1420

1430 1 . 19973 2. 50327 1. 88664 1 .24934 2. 57461 1. 89374 1. 29791 2. 64360 1 .90012 1430

1440 1 . 19066 2. 49013 1. 88527 1 .24012 2. 56142 1. 89246 1. 28855 2. 63036 1 .89893 1440

1450 1. 18169 2 .47709 1. 88390 1 .23099 2. 54833 1. 89118 1 .27927 2. 61723 1 .89773 1450

1460 1. 17280 2 .46415 1. 88251 1 .22195 2. 53533 1. 88989 1 .27009 2. 60419 1 .89653 1460

1470 1. 16400 2 .45130 1. 88112 1 .21300 2. 52244 1. 88860 1 .26100 2. 59125 1 .89532 1470

1480 1. 15528 2 .43855 1. 87972 1 .20413 2. 50964 1. 88729 1 .25199 2. 57840 1 .89410 1480

1490 1. 14665 2 .42590 1. 87831 1 .19536 2. 49693 1. 88598 1 .24307 2. 56565 1 .89287 1490

1500 1. 13811 2. 41334 1. 87689 1 .18666 2. 48432 1. 88466 1. 23424 2. 55299 1 .89164 1500

1510 1. 12965 2. 40087 1. 87547 1 .17805 2. 47180 1. 88333 1. 22549 2. 54043 1 .89040 1510

1520 1. 12127 2. 38850 1. 87404 1 .16953 2. 45938 1. 88200 1. 21682 2. 52795 1 .88915 1520

1530 1. 11298 2. 37621 1. 87260 1 .16108 2. 44704 1. 88065 1. 20824 2. 51557 1 .88790 1530

1540 1. 10476 2. 36402 1. 87115 1 .15272 2. 43479 1. 87930 1. 19973 2. 50327 1 .88664 1540

1550 1. 09662 2. 35191 1. 86969 1 . 14443 2. 42263 1. 87794 1. 19131 2. 49107 1 .88537 1550

1560 1. 08856 2. 33989 1. 86822 1 .13622 2. 41056 1. 87658 1. 18296 2. 47895 1 .88409 1560

1570 1. 08058 2. 32796 1. 86675 1 .12809 2. 39857 1. 87521 1. 17469 2. 46691 1 .88281 1570

1580 1. 07267 2. 31611 1. 86527 1 .12004 2. 38667 1. 87382 1. 16650 2. 45496 1 .88152 1580

1590 1. 06484 2. 30435 1. 86378 I .11206 2. 37486 1.87244 1. 15838 2. 44309 1 .88022 1590

191
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

V

_1 cm

-(F°-e°)/t

0

S° C°P -e°)/t

0

S° P -(f°-e°)/t S° C°

P y

-1 cm

T1 — o t nn T — ^ f uu • T — C.O\J\J •

1600 1. 05708 2 .29267 1. 86228 1. 10415 2. 36312 1. 87104 1. 15034 2. 43131 1. 87892 1600

1610 1. 04939 2 .28107 1. 86078 1. 09632 2. 35147 1. 86964 1. 14237 2. 41961 1. 87760 1610

1620 1. 04178 2 .26955 1. 85926 1. 08856 2. 33989 1. 86822 1. 13447 2. 40799 1. 87629 1620

1630 1. 03423 2 .25812 1. 85774 1. 08087 2. 32840 1. 86681 1. 12665 2. 39644 1. 87496 1630

1640 1. 02676 2 .24676 I. 85621 1. 07325 2. 31699 1. 86538 1. 11889 2. 38498 1. 87363 1640

1650 1 .01936 2 .23548 1 .85468 1 .06570 2 . 30565 1 .86395 1 .11121 2. 37359 1 .87229 1650

1660 1 .01202 2 .22428 1 .85313 1 .05822 2 .29440 1 .86251 1 .10359 2 .36229 1 .87094 1660

1670 1 .00475 2 .21315 1 .85158 1 .05081 2 .28321 1 .86106 1 .09604 2 .35105 1 .86959 1670

1680 0 ,99755 2 .20210 I .85002 1 .04346 2 .27211 1 .85960 1 .08856 2 .33989 1 .86822 1680

1690 0 .99041 2 .19113 1 . 84845 1 .03618 2 .26107 1 .85814 1 .08115 2 .32881 1 . 86686 1690

1700 0 .98334 2 .18023 1 .84688 1 .02897 2 .25012 1 .85667 1 .07380 2 .31780 1 .86548 1700

1710 0 .97633 2 .16940 1 . 84529 1 .02182 2 .23923 1 . 85519 1 .06651 2 . 30686 1 .86410 1710

1720 0 .96938 2 .15865 1 . 84370 1 .01473 2 .22842 1 .85371 1 .05929 2 .29600 1 .86271 1720

1730 0 .96250 2 .14796 1 .84211 1 .00770 2 .21768 1 .85221 1 .05213 2 .28520 1 .86132 1730

1740 0 .95568 2 .13735 1 . 84050 1 .00074 2 .20701 1 . 85072 1 .04503 2 .27448 1 .85991 1740

1750 0 .94892 2 .12681 1 . 83889 0 .99384 2 . 19640 1 .84921 1 .03800 2 .26383 1 .85850 1750

1760 0 .94222 2 .11633 1 . 83726 0 .98700 2 .18587 1 .84770 1 .03102 2 .25324 1 .85709 1760

1770 0 .93557 2 .10593 1 . 83564 0 .98021 2 .17541 1 .84617 1 .0241

2 .24272 1 .85567 1770

1780 0 .92899 2 .09559 1 .83400 0 .97349 2 .16501 1 .84465 1 .01725 2 .23227 1 .85424 1780

1790 0 -92247 2 .08532 1 .83236 0 .96683 2.15468 1 . 8431

1 .01046 2 .22189 1 .85280 1790

1800 0 .91600 2 .07512 1 .83071 0 .96022 2 . 14442 1 .84157 1 .00372 2 .21157 1 .85136 1800

1810 0 .90959 2 .06498 1 . 82905 0 .95367 2 .13422 1 .84002 0 .997C4 2 .20132 1 .84991 1810

1820 0 .90323 2 .05491 1 .82738 0 .94717 2 .12408 1 .83847 0 .99041 2 . 19113 1 .84845 1820

1830 0 .89693 2 .04490 1 .82571 0 .94074 2 .11401 1 .83690 0 .98384 2 . 18100 1 .84699 1830

1840 0 .89069 2 .03495 1 . 82403 0 .93435 2 . 10401 1 .83533 0 .97733 2 .17094 1 .84552 1840

1850 0.88449 2 .02507 1 .82234 0.92802 2 .09407 1 .83376 0 .97087 2 .16094 1 .84405 1850

1860 0 .87835 2 .01525 1 .82064 0 .92175 2 .08418 1 .83217 0 .96446 2 .15101 1 .84256 1860

1870 0 .87227 2 .00549 1 .81894 0 .91552 2 .07436 1 .83058 0 .95811 2 .14113 1 .84107 1870

1880 0 .86623 1 .99580 1 .81723 0 .90935 2 .06461 1 .82899 0.95181 2 . 13132 1 .83958 1880

1890 0 .86025 1 .98616 1L m 'D i. J J c- 0 .90323 2 .05491 . 82 73 8 0 .94556 2 . 12156 1 .83808 1890

1900 0 .85432 1 .97659 1 .81379 0 .89716 2 .04527 1 .82577 0 .93936 2 .11187 1 .83657 1900

1910 0 . 84844 1.96707 1 .81206 0 .89115 2 .03569 1 .82415 0 .93322 2 .10223 1 .83505 1910

1920 0 .84261 1.95761 1 .81032 0 .88518 2 .02617 1 .82253 0 .92712 2 .09265 1 .83353 1920

1930 0 .83682 1 .94821 1 .80858 0 .87926 2 .01670 1 .82090 0 .92108 2 .08313 1 .83200 1930

1940 0 .83109 1 .93887 1 .80683 0 .87339 2.00730 1 .81926 0 .91508 2 .07367 1 . 83047 1940

1950 0 .82540 1 .92958 1 .80507 0 .86757 1 .99795 1 .81761 0 .90913 2 .06426 1 .82893 1950

1960 0 .81976 1 .92036 1 . 80330 0 .86180 I .98865 1 .81596 0 .90323 2 .05491 1.82738 1960

1970 0 .81417 1 .91118 1 .80153 0 .85607 1 .97942 1 .81430 0 .89738 2 .04561 1 .82583 1970

1980 0 .80863 1 .90207 1 .79975 0 .85039 1 .97024 1 .81264 0.89157 2 .03637 1 .82427 1980

1990 0 .80313 1 .89300 1 .79796 0 .84476 1 .96111 1 .81097 0.88582 2 .02718 1 .82270 1990

2000 0 .79767 1 .88400 1 .79617 0 .83917 1 .95203 1 .80929 0 .88010 2 .01805 1 .82113 2000

2010 0 .79226 1 .87504 1 .79437 0 .83363 1 .94301 1 .80761 0 .87444 2 .00397 1 .81955 2010

2020 0 .78690 1 .86614 1 .79256 0 .82813 1 .93405 1 . 80592 0 .86881 1 .99995 1 .81797 2020

2030 0 .78158 1 .85729 1 .79075 0 .82268 1 .92513 1 .80422 0 .86324 1 .99097 1 .81638 2030

2040 0 . 77630 1 .84850 1 .78893 0 .81727 1 .91627 1 .80251 0 .85770 1 .98205 1 .81478 2040

2050 0 .77107 1 .83976 1 .78710 0 .81191 1 .90746 1 .80080 0 .85221 1 .97318 1 .81318 2050

2060 0 .76587 1 .83106 1 .78526 0 .80658 1 .89870 1 . 79909 0 .84677 1 .964^6 1 .81157 2060

2070 0 .76072 1 .82242 1 .78342 0.80130 1 . 89000 1 .79736 0 .84136 1 .95559 1 .80995 2070

2080 0 .75562 1 .81383 1 . 78157 0 .79607 1 .88134 1 .79564 0 .83600 1 .94687 1 .80833 2080

2090 0 .75055 1 .80529 1 .77972 0.79087 1 .87273 1 .79390 0 .83068 1 .93820 1 .80670 2090

192
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

V _(f°-E°)/T ^0 S° CO -(f°-e°)/t S° C° -(F°-E°)/T S° CO V

p ^ P ^ P _

T =2600. T =2700. T — 7 Q A A =2800

2100 0 .74552 1 . 79680 1 .77786 0.78571 1 .86417 1 .79216 0 .82540 1 .92958 I .80507 2100

2110 0 .74054 1 .78836 1 .77599 0.78060 1 .85566 1 .79041 0 .82017 1 .92101 1 .80343 2110

2120 0 .73559 1 . 77997 1 . 7741Z l\ 7 7 C C T 0 . 7 7 5 1 0 / 7 7 A . 84 f ZU I 0 0 C

• f 0009 u

11

11 Q n 1 7 Q • oU i f 0

9 1 OA

£. 1 30 u

"7 Q A £. Q

1 1 7 7 0 0 A

. 1 ( z<:h r\ 7 7 A 0 1 Q "3 Q 7 Q . 0 3 0 I 7

1i 7 0 A Q Q U

Q n Q >3

1I Q n AA 9 1i 9 1 1 A

£. 1 HU U

7 O C CJ O

1

\L 7 7 r\ "2 c C\ 7 A C A 0 U.I 0

Q :i A A 0 1i 7 Q C 1 ^ U

p n A A Q 1. Q Q C C Q • 0 V 9 9 V 1i

-7 Q Q A 7 . r Vo *t f ^

9 1L AAhU

2150 0 .72099 1 .75508 1 . 76846 0.76053 1 .82210 1 . 78335 0 .79962 1 .88721 I .79681 2150

2160 0 .71620 1 .74688 1 .76656 0.75562 1 .81383 I .78157 0 . 79458 1 .87887 1 .79514 2160

c L r U

nU 7 11 AA 1 7 ^fl7 5 • 1 D O 1 £. 1L 7 AAA n 7 R n 7 A I .80561 11 0 .78958 1 1 70 •! A A . I 7 J> 7 L) ? 1 7n

£ J. ou 0 .70673 11 . f J u O 1. 11 7 A 9 7 A vj • f *t J 0 7 1 . 79743 1 0 .78461 1 . 862 34 1L . 791 7 17ft I 1 0 A? 11. an0 v.*

<1 A ^ U 0 .70205 1i 7 ? ? S S 1L 7 Afift 9 1 .78930 1J. . f f U A 0 .77969 1

J. . 35415 1

1. .79010 2190

2200 0 .69741 1 .71453 1 . 75890 0.73632 1 .78121 1 .77440 0 .77480 1 .84600 1 .78840 2200

2210 0 .69280 1 .70656 1 .75697 0.73159 1 .77316 1 .77259 0 .76995 1 .83789 1 .78671 2210

7 ? 9 n 0 .68823 i AQ ft A ';i 1i n 7 9 A flQ 1 .76517 1 . 77077 f 1 U f r 0 .76514 11 A 9 Oft . 0 C 7 0 9

1

1. . 71 ft0 s9 nnu u 9 9 9n

0 .68370 1 A Q n 7 C\ 11 • 71 !> J HQU 7 n 7 9 9 9 A 1 .75721 1L 7 A 0 Q c; . r 0 0 7 9 0 . 76036 11

ft 9 1 A 1

\I • f 0 9 <C ^ 9 9

1 1 H U 0 .67920 1i A a 9 Q 1 i 7 1 1 A n 7 1 7 AU « r 1 f 0 1 1. 74930 1i 7 A7 1 9 0 .75562 11 0 1 -> 0 -3 •01909 11 • 7( 0ft i

1 S79 r 9 9 ^.^

2250 0 .67474 1 .67511 1 .74918 0.71302 1 .74143 1 .76529 0.75091 1 .80590 1 .77985 2250

2260 0.67031 1 1 .74722 0.70847 1 .73361 1 .76345 0 .74624 1 .79801 1 .77813 2260

T O "7 n 2^ rO 0 .66592 1 .65965 1 .74525 0. 70395 I .72583 I 7 A I A 1 . 76161 0 .74160 11 7 A A 1 A

. 790 1 6

11 7 7 A 7 A . 7 7 639 7 7 7 A 22 70

0 .66155 1 c 1 o a. oD l9o 1 7 A "3 0 0 A iL 0 fl A 71 .71809 1 0 .73700 11 7 Q 7 7 A 11 7 7 A A c; . 7 7 HO 5

7 7 Q A

0 .65723 1 ^ /. 1

1 7 A 1 on . 1 Hi 3U r\ A 0 c n 0 1 .71039 11 7 C: 7 Q A . ( D / 9 U 0 .73243 1 .777 7AHOA AU

1I 7 7 7 Q I . 7 7^9 1 7 7 Q A A A 9U

2300 0 .65293 1 1 .73931 0.69060 I .70273 1 .75604 0 .72790 1 .76688 1 .77116 2300

2310 0 .64867 1 .62923 1 .73732 0.68622 1 .69512 1 .75417 0 .72340 1 .75920 1 .76941 2310

0 .64444 1 .6^1(3 I .(35 32 r\ A 0 1 A 0 . 60 1 06 1 .68755 1 7 C 0 7 Q 0 .71893 11 7 C 1 A 1 7 A 7 A C

. 70 7oD 7 7 7 A

0 .64025 I ^1 i. ""i ~t . O 1 H<J f i 7 1 0

A A 7 7 C C

1 .68001 11. 7 1 A 1 0 .71449 1I 7 A "a 0 A . 7 h39o 1i 7 A Q Q . 7d J 00 7 7 a A A 3 3U

0 .63608 1 ^ n iL o c

I . I 3 1 3

A A 7 '2 0 A 1 .67252 1 7 A tt ^ . / HOI) 3 0 .71009 1 7 "3 A A n 1 7 A A l 1 . 1 OH I 1 7 7 A n

2350 0 .63195 1 .59947 1 .72930 0.bb900 I .66507 1 .74664 0 .70572 1 .72888 1 .76233 2350

2360 0 .62785 1 .59214 1 .72728 0.66478 I .65766 1 .74474 0 .70138 1 .72140 1 .76055 2360

9 ^ 7 n 0 .62378 1i 1 7 *> c 0 c

. 1 CO£.Z> A A A A C A U . OOUD9 1 .65028 11 7 A 0 0 A. f H^:o H 0 .69708 1 7 1 7 A A . ( i 3Vo 1I 7 Q 7 A . 1 5 0 7o 7 7 7 A Z 3 7 U

9 tt n 0 .61974 J. 7 7 c; Q 1 7 0 'a 0 0 A A CI A A '3 U . 0 L> OH 3 1 .64295 1 7 A A Q -tl . f H U V 3 0 .69280 1 7 f ^ A A . 7 Uo D 0 1 7 c; A Q 7 . 7 DOV 7 7 7 Q A A 3 oU

0 .61573 1 C 7 A 1 ^ .5 f U 36 1 7 0 1 1 D A A C 0 0 A 1 .63565 I 7 7 A A 0 0 .68856 1 A 0 A 1 A . o99 1

11 7 1 7 7 7 Q A 39U

2A00 0 .61175 1 .56317 1 .71913 0.64820 1 .62840 1 .73710 0 .68435 1 .69187 1 .75336 2400

2410 0 .60780 1 .55603 1 . 71709 0.64413 1 .62118 1 .73518 0 .68016 1 .68458 1 .75156 2410

9 A 9 A 0 .60388 1 . 54892 1 71 C A 1

. (1503 A A / A A A 0 . 64009 1 .61400 1 7 7 7 0 C. 73 325 0 .67601 11 A 7 7 7 7 »b / 1 i i

11 7 A A 7 /

. 749 74 7 A 7 A 2420

9 A. "1 n 0 . 59999 1 C A 1 D

. D4 1 o6 1 71 007 A A "J A A 0 0 . 6 3608 1 .60685 I 7 7 17 1 . 73131 0.67189 11 A 7 A 1 7. 6 70 1

11 7 / 7 A 7 .74 ( 9<: 7 A 7 A 243U

9 /l An 0 .59613 1 . 5348 3 1 . ( 1090 0 . 6321

1 .59975 1 7 7 A 7 7. 72937 0 .66779 1

A A 7 A C

. 6629 5

11 . 74610 2440

2450 0 .59230 1 .52783 1 . 70883 0.62815 1 . 59268 1 .72742 0 .66373 1 .65581 1 .74427 2450

2460 0 .58849 1 .52088 1 .70676 0.62423 1 .58565 1 .72547 0 .65970 1 .64871 1 .74243 2460

"7 A 7 r\ 0 .58471 1 .51396 1 . 70467 0.62033 1 . 57865 1 .72352 0 .65569 1 . 64164 1 . 74059 2470

0 .58097 1 .50707 1 . 70259 0. 61647 1 .57169 1 .72156 0 .65171 1 . 63461 . 73874 2480

0 .57725 1 .5002 3 1 . 70049 0.61263 1 . 56477 1 . 7 1959 0 .64776 1 .bZlbZ 1 .73689 2490

T c A r\ /:duO 0 .57355 1 .49341 1 .69839 0.60882 1 . 55788 1 . 71762 0 .64384 1 . 62066 1 .73504 2500

2510 0 .56989 1 .48664 1 .69629 0.60504 1 .55103 1 .71564 0 .63995 1 .61374 1 .73318 2510

2520 0 .56625 1 .47990 1 .69418 0.60128 1 .54421 1 .71366 0 .63608 1 .60685 1 .73131 2520

2530 0 .56264 1 .47319 1 .69207 0.59755 1 .53742 1 .71167 0 .63224 1 .60000 1 .72944 2530

2540 0 .55905 1 .46652 1 .68995 0.59385 1 .53068 1 .70968 0 .62843 1 .59318 1 . 72756 2540

2550 0.55549 1 .45989 1 .68782 0.59018 1 . 52396 1 .70768 0 .62465 1 .58640 1 .72568 2550

2560 0 .55196 1 .45328 1 .68569 0.58653 1 .51728 1 .70568 0 .62089 1 .57965 1 .72380 2560

2570 0 .54845 1 .44672 1 . 68356 0.58291 1 .51064 1 .70367 0 .61716 1 .57293 1 .72191 2570

2580 0 .54497 1 .44018 1 .68142 0.57931 1 .50402 1 . 70166 0 .61345 1 .56625 1 .72001 2580

2590 0 .54151 1 .43368 1 .67928 0.57574 1 .49745 1 .69964 0 .60977 1 .55960 1 .71811 2590

193
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

V

-1

cm

-(F°-E°)/T S° C°P -(FO-Eo)/t S° C°

P (FO-Eo)/t so C°

P V

-1

cm

T=2600. T =2700. T =2800.

^OUU 1.42721 1

A. "7 "T 1 1 mO 1 1 Li -t1A r\ n 1 ,69762 0. 60612 1 d c o n o

. 3 pZ9 8 1 . 7 1621 2600

2610 0.53467 1 .42078 1 .67497 0.56867 1 .48439 1 .69559 0. 60249 1 .54640 1 .71430 2610

2620 0.53129 1 .41438 1 .67281 0.56518 1 .47791 1 .69356 0. 59888 1 .53984 1 .71238 2620

2630 0.52793 1 I .67065 0.56170 1 .47146 1 .69152 0. 59530 1 .53332 1 .71046 2630

2640 0.52459 1 .40167 1 .66848 0.55826 1 .46504 1 .68948 0. 59175 1 .52684 1 .70854 2640

t O 3 U 1 .39537 A A A 1 A n c c A Q a 11 A Q A A 1.68743 0.58822 1 .52038 1

"7 rv A A 1 . 1 (Job 1 A05U O A 1^ A 2660 0.51800 1 .38910 1 .66412 0.55144 1 .45231 1 .68538 0.58471 1 .51396 1 .70467 2660

2670 0.51473 1 .38286 1 .66194 0.54806 1 .44599 1 .68332 0. 58123 1 .50756 1 .70274 2670

2680 0.51 149 1

J. 1 .65975 0.54471 1 .43970 1 AO 1 OA • O O 1. £. O 0.57778 1 .50120 1 .70079 2680

2690 0.50828 1 .37047 1 .65756 0.54138 1 .43344 1 .67920 0. 57434 1 .49487 1 .69884 2690

1 .36433 1 • \J J J D O

1

1. . ^A ( A J. 1 .67713 0. 57093 1 .48857 1

1. AOA aq

2710 0.50191 1 .35821 1 .65316 0.53480 1 .42102 1 .67505 0. 56754 1 .48230 1 .69494 2710

2720 0.49876 1 .35213 1 .65095 0.53154 1 .41485 1 -67297 0. 56418 1 .47606 1 .69297 2720

2730 0.49564 1L 1 A in? 1 .64874 0.52830 1 .40872 1X . O 1 U O 7 0. 56084 1.46985 1 .69101 2730

2740 0.49253 1 .34005 1 .64652 0.52509 1 .40261 1 .66880 0. 55752 1 .46367 1 .68904 2740

1 .33405 i nU ^ 9 1 O Q • J ^ 1 O 7

1i "^Q A^ A 1 .66670 0.55423 1L A C7t; o

1 .68706

lit':) 0.48639 1 .32809 1 .64207 0.51873 1 .39049 1 .66461 0. 55095 1 .45140 1 .68509 2760

0.48335 1 .32215 1 .63984 0.51558 1 .38447 1 .66251 0. 54770 1 .44531 1 .68310 2770

2780 0.48033 11 1 .63761 0.51245 1 .37849 1i A AMAH 0.54447 1 .43925 1 .68111 2780

2790 0.47734 1 .31037 1 .63537 0.50935 1 .37253 1 .65829 0. 54126 1 .43322 1 .67912 2790

C\ A T A O ^ 1 .30452 i n n A o A U . !>UC3 AO 1I

-> A A A 1 .65617 0. 53808 1L • Ha 1 A 1 1 .67713 9 O A A 2810 0.47141 1 .29871 1 .63088 0.50320 1 .36070 1 .65405 0. 53491 1 .42124 1.67512 2810

2820 0.46847 1 .29292 1 .62863 0.50016 1 .35483 1 .65193 0. 53177 1 .41529 1.67312 2820

2830 0.46556 1 1 .62637 0.49714 1 .34898 1 .64980 0. 52865 1 .40937 1 .67111 2830

2840 0.46267 1 .28142 1 .62411 0.49414 1 .3^317 I .64767 0. 52554 1 .40348 1 .66910 2840

^ o ?u C\ A C Q Q n 1 .27572 1 A 9 1 fi A n A0 1 1 A 11 1 .64553 0. 52246 1 .39762 1 .66708 9 A 2860 0.45694 1 .27004 1 .61957 0.48820 1 . 33162 1 .64339 0. 51940 1 .39178 1 .66506 2860

2870 0.45411 1 .26439 1 .61730 0.48526 1 .32589 1 .64125 0. 51636 1 .38597 1 .66303 2870

2880 0.45130 1 .25877 1 .61502 0.48234 1 .32018 1 .63910 0. 51334 1 .38019 1 .66100 2880

2890 0.44850 1 .25318 1 .61274 0.47944 1 .31450 1 .63694 0. 51034 1 .37444 1 .65897 2890

r\ A A K "7 ^ 1 .24761 i

iL 1 r\ A A r\ A"7 A t; "7 1 .30885 1 .63479 0. 50736 1 . 36871 1 .65693 9 onA 2910 0.44297 1 .24207 1 .60817 0.47370 1 .30323 1 .63263 0. 50440 1 .36301 1 .65489 2910

2920 0.44024 1 .23656 1 .60588 0.47086 1 .29763 1 .63046 0. 50146 1 .35734 1 .65284 2920

2930 0.43752 1 .23107 1 .60358 0.46804 1 .29206 1 .62829 0. 49854 1 .35169 1 .65079 2930

2940 0.43482 1 .22561 1 .60128 0.46524 1 .28652 1 .62612 0. 49564 1 .34607 1 .64874 2940

2950 0.43214 1 .22018 1 . 59897 0.46245 1 .28100 1 .62394 0. 49275 1 .34048 1 .64668 2950

2960 0.42948 1 .21477 1 .59666 0.45969 1 .27551 1.62176 0. 48989 1 .33491 1 .64462 2960

2970 0.42683 1 .20939 1 .59435 0.45694 1 .27004 1 .61957 0. 48705 1 .32936 1 .64255 2970

2980 0.42421 1.20403 1 .59203 0.45421 1 .26460 1.61739 0.48422 1 .32385 1 .64048 2980

2990 0.42160 1 .19870 1 .58971 0.45150 1.25919 1 .61519 0.48141 1 .31835 1 .63841 2990

3000 0.41901 1 .19340 1 .58739 0.44881 1.25380 1 .61300 0. 47862 1 .31289 1 .63633 3000

3010 0.41644 1 .18812 1 .58506 0.44614 1 .24843 1.61080 0. 47585 1 .30744 1 .63425 3010

3020 0.41388 1 .18287 1 .58273 0.44348 1 .24309 1 .60859 0. 47309 1 .30203 1 .63216 3020

3030 0.41134 1 .17764 1 .58040 0.44084 1 .23778 1 .60639 0. 47036 1 .29664 1 .63007 3030

3040 0.40882 1 .17244 1 .57806 0.43822 1 .23249 1 .60417 0. 46764 1 .29127 1 .62798 3040

3050 0.40632 1 . 16726 1.57572 0.43562 1 .22723 1 .60196 0. 46494 1 .28592 1 .62588 3050

3060 0.40383 1 .16210 1 .57337 0.43303 1 .22199 1 .59974 0. 46226 1 .28061 1 .62379 3060

3070 0.40136 1 .15698 I .57102 0.43046 1 .21677 1 .59752 0. 45959 1 .27531 1 .62168 3070

3080 0.39891 1 .15187 1 .56867 0.42791 1 .21158 1 .59529 0. 45694 1 .27004 1 .61957 3080

3090 0.39647 1 . 14679 1 .56631 0.42537 1 .20641 1 .59306 0. 45431 1 .26480 1 .61746 3090

194
Table 11 Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

V -(FO-Eo)/T so 0° -(Fo-Eo)/T S° G° -(F°-Eo)/T 3° C° v

^

U P

^' U p . cm cm

T1 —— t7 Ann O U VJ • T1 = ?7fin T =2800.

11

1X n\j . 4?7 AS X1 1X SQOA % 0 4S 1 70 1.25957 1X .61 S ^

* V X J J J 1 on 3110 0.39165 1 .13670 1 .56159 0. 42035 1 .19615 1 .58860 0. 44910 1 .25437 1 .61323 3110

3120 0.38926 1 .13169 1 .55922 0. 41786 1 .19105 1 .58636 0. 44652 1 .24920 1 .61111 3120

T ^ L OKI U . _7 O O O 7

1L . X ^ O f u1X 0. 41539 1X . 1 A S9

1 .58411 0. 44395 1 .24405 1X . 60899 ^1 ^0

U . -/ O T J J 1 . 1X ^? 1i 741 T 1X <;SAAA 0. 41294 X .. X1 AflQ^ O 7 J 1 .58187 0. 44141 1.23892 1X .606A6 • \J \J \J \J \J 1 40

V./ . ^ <J ^ IL 7

1X . X1 X1 6ftn O O \J 1X . ^ X X 0. 41050 1X . 17590 1 .57962 0. 43887 IX . 2338

X . 60473 1 SO

3160 0.37987 1 .11189 1 .54973 0. 40808 1 .17090 1 .57736 0. 43636 1 .22873 1 .60259 3160

3170 0.37756 1 .10699 1 .54735 0. 40567 1 .16592 1 .57511 0. 43386 1 .22367 1 .60045 3170

"K 1 An U . J f ^ ^ f 1

k. 1X 0. 40328 1X 1 6nQ6 1 .57285 0. 43138 1 .21863 1X . SQA^ ^ 7 U ^ X1 1 AO

% 1 on 11 . VI 7 f ^ O

1X 0.40091 1X . 1X SftO'^ J o\j J 1.57059 0. 42891 1 .21362 X1 SQ6 1 7 ^J X1 QO7 w

U . ^ f VJ ( 3

1X1X s^ni ft 0. 39855 1X . 1X ~fS 1X 1X ? 1 .56832 0.42646 I ,20862 1X . ^ y ^ \J C

3210 0.36848 1 .08765 1 .53779 0. 39620 1 . 14623 1 .56605 0. 42402 1 .20365 1 .59187 3210

3220 0.36625 1 .08287 1 .53539 0. 39387 1 . 14136 1 .56378 0. 42160 1 .19870 1 .58971 3220

Dti D yj

1

J. n 7 G 1 1 • U r O 1 L

11 • 3 3 7 7 0. 39156 1X 1.56150 0. 41919 1 . 19378 1X

c; o 7 c A n A 1 ft 7 1i CM'X'KP, • U / ^ J O

11 c o r\ c o 0.38926 1X

1 1 AQ 1 .55922 0. 41680 1 . 18887 1X COCAO

\J m J _/ 7 O t

1X • \> O O O f 1

J. S7ft 1 ft 0. 38698 1X 1 7AftQ 1 .55694 0.41443 1 . 18399 1X • Sft J \J J C J 7 SO

3260 0.35746 1 .06398 1 .52577 0. 38471 1 .12211 1 .55466 0. 41207 1 . 17913 1 .58106 3260

3270 0.35530 1 .05931 1 .52335 0. 38245 1 .11735 1 .55237 0. 40972 1 . 17429 1 .57889 3270

J £ O 1 .05466 1X . ^ U 7 *f 0. 38021 1X •. 1X 1X c.?61U X 1 .55008 0. 40739 1 .16947 X . bli>12.

1 -05003 1X .SI AS? 0. 37799 1X . 1 n7Qn 1 .54779 0. 40507 1 . 16468 1X .57454 3290

^ -# u W . J ^ O 7 1. 1 .04543 1X •51610 0. 37578 1X . X \J J £, \J 1 .54549 0. 40277 1 . 15990 1X J -J ^ \j 3310 0.34680 1 .04084 1 .51368 0. 37358 1 .09853 1 .54319 0.40048 1 .15515 1 .57018 3310

3320 0.34471 1 .03628 1 .51126 0. 37140 1 .09388 1 .54089 0. 39821 1 .15042 1 .56800 3320

3330 0 . 34264 1 .03174 \ . 50882 0. 36923 I .08925 1 .53858 0. 39595 1 . 14570 1 .56581 3330

3340 0 . 34057 1 .02722 1 . 50639 0. 36707 I • 08464 1 .53628 0. 39371 1 .14101 1 .56362 3340

3350 0 . 33852 1.02272 . 50396 0. 36493 I •08005 • \J \J \J \J ^ 1 .53397 0. 39148 1 .13634 1 .56142 3350

3360 0.33649 1 .01824 1 .50152 0. 36280 1 .07548 1 .53165 0. 38926 1 .13169 1 .55922 3360

3370 0.33447 1 .01378 1 .49908 0. 36069 1 .07093 1.52934 0. 38706 1 .12706 1 .55702 3370

3380 0.33246 1.00934 1 . 49664 0. 35859 1 . 06640 1 .52702 0. 38487 1 . 12245 1 .55482 3380

3390 0. 33046 1 .00493 \ . 49420 0. 35650 1 .06190 1 .52470 0.38269 1 .11786 1 .55262 3390

3400 0. 32848 1 .00053 \ .49175 0. 35443 1X .05741 1 .52237 0. 38053 1 .11329 1.55041 3400

3410 0.32651 0.99615 1 .48930 0. 35236 1 .05294 1 .52004 0. 37838 1 .10874 1 .54820 3410

3420 0.32455 0 .99179 1 .48685 0. 35032 1 .04849 1 .51772 0. 37625 1 . 10421 1 .54598 3420

3430 0. 3226

0 .98746 \ , 48440 0. 34828 1 . 04407 1 .51538 0. 37413 1 .09970 1 .54377 3430

3440 0. 32067 0 .98314 \ . 48194 0. 34626 1 . 03966 1 .51305 0. 37202 1 .09521 1 .54155 3440

3450 0.31875 0 .97884 1X , 47948 0. 34425 1X . \J J J C~ 1 1 .51071 0. 36992 1.09074 1.53932 ^4S0 J ~ J \j 3460 0.31685 0 .97456 1 .47702 0. 34225 1 .03090 1 .50837 0. 36784 1 .08628 1 .53710 3460

3470 0.31495 0 .97030 1 .47456 0. 34027 1 .02655 1 .50603 0. 36577 1 .08185 1 .53487 3470

3480 0.31307 0 .96606 1X . 47209 0. 33830 I . \J C £. £. 1 .50369 0. 36371 1 .07744 1 .53264 3480

3490 0.31120 0 .96184 1 . 46963 0. 33634 1 .01791 1 .50134 0. 36167 1 .07304 1 .53041 3490

3500 0. 30934 0 .95764 1 . 467 16 0. 33439 1 .01362 1 .49899 0. 35964 1 .06867 1 .52818 ^soo

3510 0- 30750 0 .95346 1 . 46468 0.33246 1 .00934 1 .49664 0. 35762 1 .06431 1 .52594 ^S^ J xyj 1 0

3520 0.30566 0.94929 1 .46221 0. 33054 1 .00509 1 .49429 0. 35561 1.05997 1 .52370 3520

3530 0.30384 0 .94515 1 .45974 0. 32862 1 .00085 1 .49193 0. 35361 1 .05565 1 .52146 3530

3540 0.30203 0 .94102 1 .45726 0.32673 0 .99664 1 .48957 0. 35163 1 .05135 1 .51921 3540

3550 0.30023 0.93692 1 .45478 0. 32484 0 .99244 1 .48721 0. 34966 1 .04707 1 .51697 3550

3560 0.29844 0 .93283 1 .45230 0. 32297 0.98826 1 .48485 0. 34770 1 .04281 1 .51472 3560

3570 0.29666 0 .92876 1 .44981 0. 32110 0 .98410 1.48249 0. 34576 1 .03856 1 .51247 3570

3580 0.29490 0 .92471 1 .44733 0. 31925 0 .97995 1 .48012 0. 34382 1 .03433 1 .51021 3580

3590 0.29315 0 .92067 1 .44484 0. 31741 0 . 97583 1 .47775 0. 34190 1.03012 1 .50795 3590

195
cm

-1

(r°-E°)/T

Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

s° c° -(f°-e°)/t s° -(f°-eo)/t s°

p

eg •(F°-Eo)/T CO

p

V

cm

T=2600. T=2700. T=2800.

3600 0.29140 0.91666 1.44235

3610 0.28967 0.91266 1.43986

3620 0.28795 0.90868 1.43737

3630 0.28624 0.90472 1.43487

3640 0.28454 0.90077 1.43238

0.31558 0.97172 1.47538

0.31377 0.96763 1.47301

0.31196 0.96356 1.47063

0.31017 0.95950 1.46825

0.30838 0.95547 1.46588

0.33999 1.02593 1.50570 3600

0.33809 1.02176 1.50344 3610

0.33620 1.01760 1.50117 3620

0.33432 1.01346 1.49891 3630

0.33246 1.00934 1.49664 3640

3650 0. 28286 0. 89685 1 .42988 0.30661 0. 95145 1 .46349 0. 33060 1. 00524 1.49437 3650

3660 0. 28118 0. 89294 1 .42738 0. 30485 0. 94745 1 .46111 0. 32876 1. 00115 1.49210 3660

3670 0. 27951 0. 889C5 1 .42488 0. 30310 0. 94347 1 .45873 0. 32693 0. 99709 1.48983 3670

3680 0. 27786 0. 88517 1 . 42238 0. 30136 0. 93950 1 .45634 0. 32511 0. 99304 1.48755 3680

3690 0. 27621 0. 88132 1 .41987 0. 29963 0. 93555 1.45395 0. 32330 0. 98900 1.48527 3690

3700 0. 27458 0. 87748 1 .41737 0. 29791 0. 93162 I .45156 0. 32150 0. 98499 1.48299 3700

3710 0. 27295 0. 87366 1 .41486 0. 29621 0. 92771 1 .44917 0. 31971 0. 98099 1.48071 3710

3720 0. 27134 0. 86985 1 .41235 0. 29451 0. 92381 I .44678 0. 31794 0. 97700 1.47843 3720

3730 0. 26974 0. 86606 1 .40984 0. 29282 0. 91993 1 .44438 0. 31617 0. 97304 1 .47614 3730

3740 0. 26814 0. 86229 1 .40733 0. 29115 0. 91606 1 .44198 0. 31441 0. 96909 1.47385 3740

3750 0.26656 0. 85854 1. 40482 0. 28948 0. 91222 1.43958 0. 31267 0. 96516 1 .47156 3750

3760 0.26499 0. 85480 1. 40230 0. 28782 0. 90838 1.43718 0. 31093 0. 96124 1 .46927 3760

3770 0.26342 0. 851G8 1. 39979 0. 28618 0. 90457 1.43478 0. 30921 0. 95734 1 .46698 3770

3780 0.26187 0. 84737 1. 39727 0. 28454 0. 90077 1.43238 0. 30750 0. 95346 1 .46468 3780

3790 0.26032 0. 84368 1. 39475 0. 28292 0. 89699 1.42997 0. 30579 0. 94959 1 .46239 3790

3800 0.25879 0. 84001 1. 39223 0.28130 0. 89323 1 .42757 0. 30410 0. 94574 1.46009 3800

3810 0.25726 0. 83636 1. 38971 0.27970 0. 88948 1 .42516 0. 30241 0. 94191 1.45779 3810

3820 0.25575 0. 83272 1. 38719 0.27810 0. 88575 1 .42275 0. 30074 0. 93809 1.45549 3820

3830 0.25424 0. 82909 1. 38467 0.27652 0. 88203 1 .42034 0. 29908 0. 93429 1.45318 3830

3840 0.25275 0. 82549 1. 38214 0.27494 0. 87833 1 .41792 0. 29742 0. 93050 1.45088 3840

3850 0. 25126 0 .82189 1 .37962 0. 27337 0. 87464 1. 41551 0. 29578 0. 92673 1 .44857 3850

3860 0. 24978 0 .81832 1 .37709 0. 27182 0. 87098 1.41309 0. 29415 0. 92297 1 .44626 3860

3870 0. 24831 0 .81476 1 . 37456 0. 27027 0. 86732 1. 41068 0. 29252 0. 91924 1 .44395 3870

3880 0. 24686 0 .81122 1 .37203 0. 26873 0. 86369 1.40826 0. 29091 0. 91551 1 .44164 3880

3890 0. 24541 0 .80769 1 .36951 0. 26720 0. 86006 1. 40584 0. 28930 0. 91180 1 .43933 3890

3900 0. 24396 0 .80417 1 .36698 0. 26568 0. 85646 1.40342 0. 28771 0. 90811 1.43701 3900

3910 0. 24253 0.80068 1.36444 0. 26417 0. 85287 1. 40100 0. 28612 0. 90443 1 .43470 3910

3920 0. 24111 0 .79720 1 .36191 0. 26267 0. 84929 1. 39857 0. 28454 0. 90077 1.43238 3920

3930 0. 23970 0 .79373 1 .35938 0. 26118 0. 84573 1. 39615 0.28298 0.89713 1 .43006 3930

3940 0. 23829 0 .79028 1 .35685 0.25970 0. 84219 1. 39372 0. 28142 0. 89350 1 .42774 3940

3950 0. 23689 0 .78684 1 .35431 0. 25822 0. 83866 I. 39130 0. 27987 0. 88988 1.42542 3950

3960 0. 23551 0 .78342 1 .35178 0. 25676 0. 83514 1. 38887 0. 27833 0. 88628 1 .42309 3960

3970 0. 23413 0 .78001 1 .34924 0. 25530 0. 83164 1. 38644 0. 27680 0. 88269 1 .42077 3970

3980 0. 23276 0.77662 1 .34670 0. 25385 0. 82816 1. 38401 0. 27528 0. 87912 1 .41844 3980

3990 0. 23139 0 .77325 1 . 34416 0. 25242 0. 82469 1. 38158 0. 27376 0. 87556 1 .41611 3990

4000 0. 23004 0 .76989 1 .34163 0. 25099 0. 82123 1. 37915 0. 27226 0. 87202 1.41378 4000

196
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and **K)

cm

-1

(F°-Eg)/T S° C°P •(f°-e°)/t S° CO

P -(f°-e°)/t s° COP V

cm

T=2900. T=3000. T=3100.

100 6 .01753 7.95581 1 .98676 6.08327 8.02317 1 .98679 6. 14690 8. 08831 1 .98681 100

110 5 .83302 7.76646 1 .98668 5.89860 7. 83381 1 .98671 5.96208 7. 89895 1 .98674 110

120 5 .66499 7.59360 1 .98658 5.73041 7. 66095 I .98662 5.79374 7. 72609 1 .98666 120

130 5 .51082 7.43459 1 .98648 5.57607 7. 50194 1 .98653 5.63925 7. 56707 1 .98657 130

140 5 . 36842 7.28738 1 . 98637 5.43352 7. 35472 1 . 98642 5.49655 7. 41986 1 .98647 140

150 5 .23619 7.15034 1 .98625 5.30113 7. 21768 1 .98631 5.36401 7. 28281 1 .98637 150

160 5 .11281 7.02215 1 .98613 5. 17759 7. 08949 1 .98620 5.24032 7. 15461 1 .98626 160

170 4 .99720 6.90175 1 .98599 5.06182 6. 96908 1 .98607 5. 12440 7. 03420 1 .98614 170

180 4 .88848 6.78824 1 .98585 4.95293 6. 85556 1 .98594 5.01536 6. 92068 1 -98601 180

190 4 .78589 6.68087 1 . 98570 4. 85019 6. 74819 1 . 98579 4.91247 6. 81331 1 .98588 190

200 4.68881 6.57902 1 .98554 4.75295 6. 64634 1 .98565 4.81508 6. 71145 1 .98574 200

210 4 .59670 6.48215 1 .98537 4.66068 6. 54946 1 .98549 4.72266 6. 61457 1 .98560 210

220 4 .50910 6.38980 1 .98520 4.57292 6. 45710 1 .98533 4.63476 6. 52220 1 .98544 220

230 4 .42561 6.30155 1 .98501 4.48927 6. 36885 1 .98516 4.55095 6. 43395 1 .98528 230

240 4 .34587 6.21708 1 .98482 4.40937 6. 28437 1 . 98498 4. 47091 6. 34946 1 .98512 240

250 4.26958 6. 13606 1 .98462 4.33292 6. 20334 1 .98479 4.39431 6. 26842 1 .98494 250

260 4 . 19647 6.05822 1 .98442 4.25965 6. 12550 1 .98460 4.32090 6. 19058 1 .98476 260

270 4 .12629 5.98333 1 .98420 4.18932 6. 05060 1 .98440 4.25042 6. 11567 1 .98457 270

280 4 .05884 5.91118 1 .98398 4.12171 5, 97 844 1 .98419 4. 18266 6. 04350 1 .98438 280

290 3 .99392 5.84156 1 . 98375 4. 05664 5. 90882 1 . 98397 4. 11744 5. 97387 I .98417 290

300 3 .93136 5.77431 1 .98351 3.99392 5. 84156 1 .98375 4.05458 5. 90661 1 .98396 300

310 3 .87101 5.70928 1 .98326 3.93341 5. 77652 1 .98351 3.99392 5. 84156 1 .98375 310

320 3 .81272 5.64632 1 .98300 3.87497 5. 71355 1 .98327 3.93533 5. 77858 1 .98352 320

330 3 .75637 5.58530 1 .98274 3.81846 5. 65252 1 .98303 3.87868 5. 71755 1 .98329 330

340 3 .70184 5. 5261

1 . 98246 3.76377 5. 59333 1 . 98277 3. 82385 5, 65835 . 98305 340

350 3 .64902 5.46865 1 .98218 3.71080 5. 53585 1 .98251 3.77073 5. 60087 1 .98281 350

360 3 .59783 5.41281 1 .98190 3.65945 5. 48001 1 .98224 3.71924 5. 54501 1 .98255 360

370 3 .54816 5.35852 1 .98160 3.60963 5. 42570 1 .98196 3.66927 5. 49070 1 .98229 370

380 3 .49994 5.30567 1 .98129 3.56126 5, 37285 1 .98168 3.62075 5. 43783 1 .98203 380

390 3 .45310 5. 2542

\ . 98098 3. 51426 5. 32138 1 .98139 3. 57361 5 . 38635 1 .98175 390

400 3 .40756 5.20406 1 .98066 3.46857 5. 27122 1 .98109 3.52777 5. 33618 1 .98147 400

410 3 .36325 5.15516 1 .98033 3.42411 5. 22230 1 .98078 3.48317 5. 28726 1 .98118 410

420 3 .32013 5.10744 I .97999 3.38083 5. 17458 I .98046 3.43975 5. 23952 1 .98089 420

430 3 .27813 5.06086 1 .97965 3.33867 5. 12798 1 .98014 3.39745 5. 19291 1 .98059 430

440 3 .23719 5.01535 X . 97930 3 . 29759 5. 08246 1 .97981 3. 35622 5, 14738 . 98028 440

450 3.19728 4.97087 1 .97894 3.25753 5. 03797 1 .97947 3.31602 5. 10289 1 .97996 450

460 3 .15835 4.92738 1 .97857 3.21845 4. 99447 I .97913 3.27679 5. 05937 1 .97964 460

470 3 .12036 4.88483 1 .97819 3. 18030 4. 95191 1 .97878 3.23850 5. 01680 1 .97931 470

480 3 .08326 4.84319 1 .97780 3.14304 4. 91025 1.97842 3.20110 4. 97513 1 .97897 480

490 3 .04701 4.80241 1 .97741 3. 10665 4. 86946 1 .97805 3.16457 4- 93433 1 .97863 490

500 3 .01160 4.76247 1 .97701 3.07108 4. 82950 1 .97767 3.12886 4. 89436 1 .97828 500

510 2 .97697 4.72332 1 .97660 3.03630 4. 79034 1 .97729 3.09394 4. 85519 1 .97792 510

520 2 .94310 4.68494 1 .97618 3.00229 4. 75195 1 .97690 3.05978 4. 81679 1 .97755 520

530 2 .90997 4.64731 1 .97576 2.96900 4. 71430 I .97650 3.02635 4. 77912 1 .97718 530

540 2 .87753 4.61038 1 .97533 2.93642 4. 67736 1 .97610 2.99363 4. 74217 1 .97680 540

550 2 .84578 4.57414 I .97489 2.90451 4. 64110 1 .97569 2.96158 4. 70590 1 .97641 550

560 2 .81468 4.53856 1 .97444 2.87326 4. 60551 1 .97527 2.93019 4. 67029 1 .97602 560

570 2 .78420 4.50361 1 .97398 2.84264 4. 57055 1 .97484 2.89943 4. 63532 1 .97562 570

580 2 .75434 4.46929 1 .97351 2.81262 4. 53621 1 .97441 2.86927 4. 60096 1 .97521 580

590 2.72506 4.43556 1 .97304 2.78320 4. 50246 1 .97396 2.83971 4. 56720 1 .97480 590

197
Table 11 Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

V -(F°-E°)/T S° C° -(FO-E°)/T S° 0° _(fo-E°)/t S° C° y

~*1 *^ P n cm

T=2900. T= 3000. T= 3100.

600 2 .69635 4.40240 1 .97256 2.75434 4. 46929 1 .97351 2.81071 4. 53401 1 .97438 600

610 2 .66819 4. 36980 1 .97207 2 . 72603 4. 43667 1 . 97306 2 .78226 4. 50138 1 .97395 610

620 2 .64055 4. 33773 1 ,97157 2.69825 4. 40459 1 .972 59 2.75434 4. 46929 1 .97351 620

630 2 .61343 4. 30619 1 .97107 2.67098 4. 37303 1 . 97212 2.72693 4. 43771 1 . 97307 630

640 2 .58681 4.27516 1 .97056 2 . 64424. 34198 1 . 97 164 2.70002 4.40665 1 . 97262 640

650 2 .56067 4.24461 1 .97004 2.61792 4. 31141 1 .97115 2.67359 4. 37606 1 .97217 650

660 2 .53499 4.21453 1 .96951 2. 59209 4. 2 8132 1 . 97066 2. 64763 4. 34596 1 .97170 660

670 2 .50977 4. 1 8492 1 .96897 2.56672 4. 25169 1 .97016 2.62213 4. 31631 1 . 97 123 670

680 2 .48498 4.1 5575 1 .96843 2 . 54 1 79 4. 22251 1 .96965 2. 59706 4. 28711 1 . 97076 680

690 2.46062 4. 12702 1.96788 2.51729 4. 19376 1 .96913 2. 57241 4 • 1 .97027 690

700 2.43668 4.09871 1 .96732 2.49319 4. 16543 1 .96861 2.54818 4. 23000 1 .96978 700

710 z .41313 4.07081 1 .96675 2.46950 4. 13751 1 .96808 2 . 52436 4. 20206 1 .96928 710

720 2 .38998 4.04331 1 .96617 2.44621 4. 10999 1 .96754 2 . 50092 4. 17452 1 . 96878 720

730 2 .36720 4.01619 1 .96559 2.42329 4. 08285 1 .96700 2.47787 4. 14737 1 .96827 730

ihO '3 y. /. o A 3. 98945 1 .96500 2.40073 4. 05609 1 .96644 2.45518 /.H» 1 ,96110 740

750 Z

> 1 O "? c 3.96308 1 .96440 2.37854 4. 02970 1 .96588 2.43285 4. 09418 1 .96723 750

760 i£ . 30 lup 3.93706 1 .96379 2 .35670 4. 00366 1 .96531 2.41087 4. 06813 1 .96669 760

770 2 .27969 3.91140 1 .96318 2.33520 3 . 97798 1.96474 4. 04242 1 . 9661

"T T n 770

780 2 .25867 3. 88607 1 .96255 2 . 31403 3. 95263 1 .96416 2. 36793 4. 01706 1 .96561 780

790 2 •23796 3.86107 1 .96192 2.29318 3. 92761 1 .96357 2.34695 3 . n 0 r\ o

1 .96506 790

800 2 .21757 3.83640 1 .96129 2.27265 3. 90292 1 .96297 2.32628 3. 96731 1 .96450 800

810 2 . 19749 3.81204 1 .96064 2 .25242 3. 87854 1 .96237 2 . 30592 3. 94291 1 .96393 8 10

820 2 .17770 3. 78798 1 .95999 2.23249 3. 85446 1 .96175 2.28586 3. 91881 1 .96336 820

830 2 .15821 3.76423 1 .95933 2.21286 3. 83069 1 .96114 2 .26609 3. 89502 1 .96278 830

840 2 .13900 3.74077 1 .95866 2. 19351 3. 80720 1 .96051 2. 24661 3. 8/151 1 .96219 840

850 2 . 12007 3.71759 1 .95798 2.17443 3. 78400 1 .95988 2.22740 3. 84830 1 .96160 850

860 2 .10141 3.69470 1 .95729 2. 15563 3. 76108 1 .95924 2. 20846 3. 82536 1 .96100 860

870 2 .08302 3.67207 1 .95660 2 . 13710 3. 73844 1 .95859 2. 18979 3. 80269 1 .96039 870

880 2 .06488 3.64971 1.95590 2. 11882 3. 71606 1 .95793 2.17138 3. 78029 1.95977 880

890 2 .04699 3. 62762 1 ^95519 2. 10079 3. 69394 1 .95727 2. 15323 3. 75815 1 .95915 890

900 2 .02936 3.60578 1 .95448 2.08302 3. 67207 1 .95660 2.13532 3. 73626 1 .95853 900

910 2 .01196 3.58418 1 .95376 2.06548 3. 65046 1 .95593 2. 11765 3. 71462 1 .95789 910

920 1 .99480 3.56283 1 .95303 2.04818 3. 62908 1 .95524 2 . 10022 3. 69323 1 .95725 920

930 1 .97787 3. 54172 1 .95229 2.03111 3. 60795 1 .95455 2. 08302 3. 61201 1 .95660 930

940 1 .96117 3.52085 1 .95154 2. 01427 3. 58705 1 .95385 2.06604 3. 65115 1 .95595 940

950 1 .94469 3.50020 1 .95079 1.99765 3. 56638 1 .95315 2.04929 3. 63045 1 .95529 950

960 1 .92842 3. 47978 1 .95003 1 .98124 3. 54593 1 .95243 2. 03275 3. 60998 1 .95462 960

970 1 .91236 3.45957 1 .94926 1.96505 3. 52570 1.95172 2.01643 3. 58973 1 .95394 0 "1 970

980 1 .89652 3.43959 1 .94848 1 .94906 3. 50568 1 .95099 2.00031 3. 56969 1 .95326 980

990 1 .88087 3.41981 1 .94770 1 .93328 3. 48588 1 .95025 1 .98440 3. 54987 1 .95257 990

1000 1 .86543 3.40024 1 .94690 1.91769 3. 46628 1 .94951 1.96868 3. 53025 1 .95188 1000

1010 1 .85017 3.38087 1 .94611 1.90230 3. 44689 1 .94877 1.95317 3. 51083 1 .95118 1010

1020 1 .83511 3.36170 1 .94530 1.88711 3. 42769 1 .94801 1.93784 3.49161 1 .95047 1020

1030 1 .82024 3.34272 1 .94448 1.87209 3. 40869 1 .94725 1.92270 3. 47258 1 .94975 1030

1040 1 .80555 3.32394 1 .94366 1.85727 3. 38988 1 .94648 1.90774 3. 45375 1 .94903 1040

1050 1 .79104 3.30534 1 .94283 1.84262 3. 37126 1 .94570 1.89297 3. 43510 1 .94830 1050

1060 1 .77670 3.28693 1 .94200 1.82815 3. 35282 1 .94492 1.87837 3. 41664 1 .94757 1060

1070 1 .76254 3.26870 1 .94115 1.81385 3. 33456 1 .94413 1.86394 3. 39835 1.94633 1070

1080 1 . 74855 3.25065 1 .94030 1.79972 3. 31648 1 .94333 1.84969 3. 38025 1 .94608 1080

1090 1 .73473 3.23277 1.93944 1.78576 3. 29857 1 .94253 1.83560 3. 36231 1 .94532 1090

198
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

1/ _(fo_eo)/t S° CO -(FO-E°)/t S° CO -(F°-E°)/T S°

cm

T =2900. T= 3000. 3100 •

1100 1 .72106 3 .21506 1 .93857 1 .77197 3. 28084 1 .94172 1 .82167 3. 34455 1 .94456 1100

1110 1 .70756 3 .19752 1 .93770 1 .75833 3. 26327 1.94090 1.80791 3. 32696 1 .94380 1110

1 120 1 .69422 3 . 18015 1 .93682 1 .74485 3 . 24586 1 .94007 1 .79430 3. 30953 1 .94302 1 120

1 130 1 . 6a 103 3 . i6iJ93 1 .93593 1 .73152 3 . 0 "5 0 0

1 .93924 1 .78085 3 . 0 Q 1 O iL 1 1 i 3U

1140 1 .66799 3

1 /.coo

1 .93503 1 .71835 3 • 0 1 1 c /. 2 I 1 DH 1i

11 7 A 7 «i <s 3 . o -7 C 1 c 11 . V4 14D 1 1 4U

1150 1 .65510 3 . 12899 1 .93413 1 .70533 3. 19461 11 • 7 D too 1L 3. 25820 1 .94066 1150

1160 1 .64235 3 .11224 1 .93322 1 .69245 3. 17784 1 Q ^ A7 n i • 1 'r L D7 3. 24140 1 .93986 1160

1 170 1 .62975 3

1^ n c z. c .09 56 5 1 .93230 1 .67971 3 • 1 0 1 1 .93584 1 .72854 3 • O 0 A ~7 C lI . y 3yUD 1 1 7 A 1 1 f U

I 1 o r\ I I oU 1 .61729 3

"7 o o 1 . U f^C 1 1 .93137 1.66712 5 m

1 A A 7 c; 1 .93497 1 .71582 5 • 0 n Q *> L1 1 QA

1 IVO 1 .60497 3 1. 93044 1 .65467 5 •

1 'J d A "3 11

1i 7 A :» 0 A • t \J D

13« 1 0 1 0 A 11 . y 3 f 4<c 1 1 QA

1200 1 .59279 3 .04677 1 .92950 1 .64235 3. 11224 11 • 7 J 0 c. c. 11 AO AO A « 0 7 u 0 U 3. 17569 1 .93659 1200

1210 1 .58074 3 .03076 1 .92855 1 .63017 3. 09620 11 • 7 J C D J

1

1. A 7 Q A Q • 0 f OH

3. 15962 1 .93576 1210

1 O O A 1.56882 3 . 0 i4oy 1 .92759 1 .61812 3 . UoU3U 1 .93143 1 .66631 3. 14369 1 .93492 1 "5 0 A I ^ aU

1 o 1 n 1 .55703 . y wio 1 .92663 1 .60620 0 . n A A A I .93053 1 .65427 3. 12790 1 .93407 1 1 A i A 3U

1 .54537 1 .92566 1 .59441 3 . nA Q Q 1 1i • 7C 70£. 1L AA p 0 C 3. 11224 1 .93322 1 "^AA

1250 1 .53384 2 .96810 1 .92469 1 .58274 3. 03342 11 Q7 07 1 • 0 f A

11 A arvt; A 3. 09672 1 .93236 1250

1260 1 .52242 2 .95277 1 .92370 1 .57119 3. 01805 11 09 770 1 • A0

11 00AO

3. 08133 1 .93149 1260

1 ^ r U 1 .51113 Q 1 7 A. 1 .92271 1 .55977 -J5 • 1 .92686 1 .60735 3. 06606 1 .93062 1 '57A 1 A f U

loan 1 .49996 1 .92171 1 .54847 -> Oft 7 7 1 1 .92592 1 .59592 3. 05092 1.92974 1 0 Q A 1 A OU

1 o Q r\ 1.48890 C o n 7 A 1 .92070 1 .53728 ->C. • 7 ( C 1 C. 1 .92498 1 .58461 3.03591 1 .92886 I A7U

1300 1 .47796 2 .89271 1 .91969 1 .52621 2. 95786 1 .92403 1 .57342 3. 02102 1 .92797 1300

1310 1 .46714 2 .87800 1 .91867 1 .51526 2. 94312 1 .92307 1 .56234 3. 00625 I .92707 1310

1 ^ 1

1 .45642 <^ O A O A 1 1 .91764 1 .50441 £. . 0 0 a c r\ 1 .92211 1 .55137 2. 99159 1 .92616

1 O "5 A 133U 1.44582 o o /. o o cr 1 .91661 1 .49368 2 . y I 4UU 1 .92114 1 .54052 2. 97706 1 .92525 1 330

1340 1.43532 2

O O /. C rt . 83459 1 .91557 1 .48305 2. 8996

1 .92016 1 .52977 2. 96264 1 .92434 1340

1350 1 .42493 2 .82035 1 .91452 1 .47254 2. 88534 1 .91918 1 .51913 2. 94834 1 .92341 1350

1360 1 .41465 2 .80623 1 .91346 1.46212 2. 87118 1 .91819 1 .50860 2. 93415 1.92248 1360

1370 1 .40447 2 . 792Z

1 .91240 1 .45181 2 . 85713 1 .91720 1 .49817 2. 92007 1.92155 1370

1 ^ o o 1380 1 .39439 2

"7 "7 O 1 1 . 77831 1 .91133 1 .44161 2. 84319 1 .91619 1 .48784 2. 90609 1 .92061 1380

1390 1 .38441 2 .76451 1 .91025 1 .43150 2. 82936 1 .91518 1.47761 2. 89223 1 .91966 1390

1400 1 .37453 2 .75082 1 .90917 1 .42149 2. 81563 1.91417 1 2. 87847 1 .91870 1400

1410 1 .36475 2 .73724 1 .90808 1.41158 2. 80201 1 .91314 1 .45746 2. 86482 1 .91774 1410

1420 1 .35506 2 .72376 1 .90698 1 .40177 2. 78850 1 .91211 1 .44752 2. 85127 1 .91678 1420

1430 1 .34547 2 .71038 1 .90587 1 .39205 2. 77508 1 .91108 1 .43768 2. 83782 1 .91580 1430

1440 1 .33597 2 .69710 1 .90476 1 .38243 2. 76177 1 .91003 1.42794 2. 82448 1 .91482 1440

1450 1 .32657 2 .68392 1 .90364 1 .37290 2. 74855 1 .90899 1 .41829 2. 81123 1 .91384 1450

1460 1 .31725 2 .67084 1 .90251 1 .36345 2. 73544 1 .90793 1 .40873 2. 79808 I .91285 1460

14 f 0 1 .30802 2 .65786 1 .90138 1 .35410 2 . 72242 1 .90687 1 .39925 2. 78502 1 .91185 1470

1 /. o r\ 14o0 1 .29889 2 .64498 1 .90024 1 .34484 2 . 70949 1 .90580 1 .38987 2. 77207 1 .91084 1480

1490 1 .28983 2 .63218 1 .89909 1 .33566 2. 69666 1 .90472 1 .38058 2. 75920 1 .90983 1490

\ c r\ r\ 1500 1 .28087 2 .61948 1 .89794 1 .32657 2. 68392 1 .90364 1 .37137 2. 74643 1 .90882 1500

1510 1 .27198 2.60688 1 .89678 1 .31756 2. 67128 1 .90255 1 .36224 2. 73375 1 .90779 1510

1520 1 .26319 2 .59436 1 .89561 1 .30864 2. 65872 1 .90146 1 .35320 2. 72116 1 .90676 1520

1530 1 .25447 2.58193 1 .89444 1 .29980 2. 64626 1 .90035 1 .34424 2. 70866 1 .90573 1530

1540 1.24583 2 .56960 1 .89326 1 .29104 2. 63388 1 .89925 1 .33536 2. 69625 1 .90469 1540

1550 1 .23728 2.55735 1 . 89207 I .28236 2. 62159 1 .89813 1 .32657 2. 68392 1 .90364 1550

1560 1 .22880 2 .54518 1 .89087 1 .27375 2. 60939 1 .89701 1 .31785 2. 67169 1 .90259 1560

1570 1 .22040 2 .53310 1 .88967 1 .26523 2. 59727 1 .89588 1 .30921 2. 65953 1 .90153 1570

1580 1 .21208 2 .52111 1 .88846 1 .25679 2. 58524 1 .89475 1.30065 2. 64746 1 .90046 1580

1590 1 .20383 2 .50920 1 .88725 1 .24842 2. 57329 1 .89361 1 .29216 2. 63548 1 .89939 1590

c°

p

V

-1

cm

199
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

V -(f°-eo)/t S° 0° -(f°-e°)/t so c° -(f°-eo)/t s° ^

(J P V ^ cm

T= 2900. T= 3000. T= 3100.

1600 1. 19566 2. 49737 1. 88603 1. 24012 2. 56142 1. 89246 1. 28375 2. 62357 1 .89831 1600

1610 1. 18756 2. 48562 1. 88480 1. 23190 2. 54963 1. 89131 1. 27541 2. 61175 1 .89723 1610

1620 1. 17953 2. 47396 1. 88356 1. 22375 2. 53792 1. 89015 1. 26715 2. 60000 1 .89614 1620

1630 1. 17158 2. 46237 1. 88232 1. 21567 2. 52630 1. 88899 1. 25896 2. 58834 1 .89504 1630

1640 1. 16369 2. 45086 1. 88107 1. 20767 2. 51475 1. 88782 1. 25084 2. 57675 1 .89394 1640

1650 1. 15588 2. 43943 1. 87982 I. 19973 2. 50327 1. 88664 1. 24279 2. 56524 1 .89283 1650

1660 1. 14813 2. 42807 1. 87855 1. 19187 2. 49188 1. 88545 1. 23481 2. 55381 1 .89172 1660

1670 1. 14046 2. 41680 1. 87729 1. 18407 2. 48056 1. 88426 1. 22690 2. 54245 1 .89060 1670

1680 1. 13285 2. 40559 1. 87601 1. 17634 2. 46931 1. 88307 1. 21905 2. 53116 1 .88948 1680

1690 1- 12531 2. 39446 1. 87473 1. 16868 2. 45314 1. 88186 1. 21128 2. 51995 1 .88835 1690

c°

p

era

1700 1. 11783 2. 38340 1 .87344 1 . 16108 2. 44704 1. 88065 1. 20356 2. 50882 I .88721 1700

1710 1. 11042 2. 37242 1 .87215 1 .15355 2. 43601 1. 87944 1. 19592 2. 49775 1 .88607 1710

1720 1. 10307 2. 36151 1 .87085 1 .14608 2. 42506 1. 87822 1. 18834 2. 48676 1 .88492 1720

1730 1. 09578 2. 35067 1 .86954 1 .13868 2. 41417 1. 87699 1. 18082 2. 47583 1 .88376 1730

1740 1. 08856 2. 33989 1 .86822 1 .13134 2. 40336 1. 87576 1. 17337 2. 46498 1 .88260 1740

1750 1 .08140 2. 32919 1. 86690 1. 12406 2. 39261 1. 87452 1. 16597 2. 45419 1. 88143 1750

1760 1 .07430 2. 31856 1. 86558 1. 11684 2. 38194 1. 87327 1. 15864 2. 44348 1. 88026 1760

1770 1 .06726 2. 30799 1. 86424 1. 10968 2. 37133 1. 87202 1. 15137 2. 43283 1. 87908 1770

1780 1 .06028 2. 29749 1. 86290 1. 10258 2. 36078 1. 87076 1. 14416 2. 42224 1. 87790 1780

1790 1 .05336 2. 28706 1. 86156 1. 09554 2. 35031 1. 86949 1. 13701 2- 41173 1. 87671 1790

1800 1 .04650 2.27669 1. 86020 1 .08856 2. 33989 1. 86822 1. 12992 2. 40127 1 .87552 1800

1810 1 .03969 2.26639 1. 85885 1 .08164 2. 32955 1. 86695 1. 12289 2. 39089 1 .87431 1810

1820 1 .03294 2.25615 1. 85748 1 .07477 2. 31927 1. 86567 1. 11591 2. 38056 1 .87311 1820

1830 1 .02625 2.24598 1. 85611 1 .06796 2. 30905 I. 86438 1. 10899 2. 37030 1 .87190 1830

1840 1 .01961 2.23587 1. 85473 1 .06121 2. 29889 1. 86308 I. 10213 2. 36011 1 .87068 1840

1850 1. 01303 2. 22582 1. 85335 1 .05451 2. 28879 1. 86178 1.09532 2. 34997 1 .86945 1850

1860 1. 00650 2. 21583 1. 85196 1 .04786 2. 27876 1. 86048 1.08856 2. 33989 1 .86822 1860

1870 1. 00002 2. 20591 1. 85056 1 .04127 2. 26879 1. 85916 1.08186 2. 32988 1 .86699 1870

1880 0. 99360 2. 19604 1. 84916 1 .03474 2. 25888 1. 85784 1.07521 2. 31993 1 .86575 1880

1890 0. 98723 2. 18623 1. 84775 1 .02825 2. 24902 1. 85652 1.06862 2. 31003 1 .86450 1890

1900 0. 98091 2. 17649 1. 84633 1. 02182 2. 23923 1. 85519 1. 06208 2. 30020 1. 86325 1900

1910 0. 97465 2. 16680 1. 84491 1. 01543 2. 22950 1. 85385 1. 05559 2. 29042 1. 86199 1910

1920 0. 96843 2. 15717 1. 84348 1. 00910 2. 21982 1. 85251 1. 04915 2. 28070 1. 86073 1920

1930 0. 96226 2. 14759 1. 84205 1. 00282 2. 21020 1. 85117 1. 04276 2. 27104 1. 85946 1930

1940 0. 95615 2. 13808 1. 84061 0. 99659 2. 20064 1. 84981 1. 03642 2. 26143 1. 85819 1940

1950 0. 95008 2. 12862 1. 83916 0.99041 2. 19113 1. 84845 1 .03013 2. 25188 1 .85691 1950

1960 0. 94406 2. 11922 1. 83771 0.98428 2. 18168 1. 84709 1 .02389 2. 24238 1 .85562 1960

1970 0. 93809 2. 10987 1. 83625 0.97819 2. 17228 1. 84572 1 .01769 2. 23294 1 .85433 1970

1980 0. 93216 2. 10057 1. 83479 0.97215 2. 16294 1. 84434 1 .01155 2. 22356 1 .85303 1980

1990 0. 92628 2. 09133 1. 83332 0.96616 2. 15365 1. 84296 1 .00545 2. 21423 1 .85173 1990

2000 0. 92045 2.08215 1. 83184 0.96022 2. 14442 1. 84157 0. 99940 2. 20495 1. 85042 2000

2010 0.91467 2.07301 1. 83036 0.95432 2. 13524 1. 84018 0. 99340 2. 19572 1. 84911 2010

2020 0. 90893 2.06393 1. 82887 0.94847 2. 12611 1. 83878 0. 98744 2. 18655 1. 84779 2020

2030 0. 90323 2.05491 1. 82738 0.94266 2. 11703 1. 83737 0. 98152 2. 17743 1. 84647 2030

2040 0. 89758 2.04593 1. 82588 0.93690 2. 10800 1. 83596 0. 97565 2. 16836 1. 84514 2040

2050 0. 89197 2.03701 1. 82438 0.93118 2. 09903 1. 83455 0. 96983 2. 15934 1. 84381 2050

2060 0. 88641 2.02813 1. 82286 0.92550 2. 09011 1. 83312 0. 96405 2. 15037 1. 84247 2060

2070 0. 88089 2.01931 1. 82135 0.91987 2. 08123 1. 83170 0. 95831 2. 14145 1. 84112 2070

2080 0. 87541 2.01053 1. 81982 0.91428 2. 07241 1. 83026 0. 95262 2. 1325'8 1. 83977 2080

2090 0. 86997 2.00181 1. 81829 0.90874 2.06363 1. 82883 0. 94697 2. 12376 1. 83842 2090

200
Table 11 Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

V -(f°-eo)/t s° c° -(f°-e°)/t s° c° -(f°-e°)/t s°

^

(J P

^ u cm

T=2900. T=3000. T=3100.

2100 0 .86458 1 .99313 1 .81676 0.90323 2 .05491 1 . 82738 0. 94136 2 .11499 1 . 83705 2100

2110 0.85923 1 .98451 .81522 0. 89777 2 . 0462 3 1 .82593 0. 93579 2 .10626 1 .83569 2110

2120 0 .85391 1 . 97593 1 .81367 0.89235 2 .03760 1 . 82448 0. 93026 2 .09759 1 .83432 2120

2130 0 .84864 1 . 96740 1 .81212 0.88696 2 . 02902 1 .82302 0.92478 2.08896 1 .83294 2130

2140 0 .84341 1 .95891 1 .81056 0.88162 2 .02048 I .82155 0. 91933 2.08038 1 .83156 2140

2150 0 .83821 1 .95048 1 . 80900 0.87632 2 . 01 199 1 . 82008 0.91392 2.07184 1 . 83017 2150

2160 0 .83306 1 .94208 1 . 80743 0. 87106 2 . 00355 1 . 8 1860 u . C n A ^ 1 . UO 335 1 . 82878 2160

2 170 0 .82795 1 .93374 1 . 80586 0. 86583 1 .99515 1 .81712 u .

f\ (r A Q 1 . u Dny 1 1 .82738 2170

2180 0.82287 1 .92544 1 . 80428 0.86065 1 . 98680 1 .81563 0. 89794 2 .04651 1 . 82 598 2180

2190 0 .81 f 83 1 .91719 1 .80269 0.85550 1 .97850 1 .81414 0. 89269 2 .03815 1 .82457 2190

2200 0 .81283 1 . 90898 1 . 801 10 0. 85039 1 . 97024 1 . 8 1264 r\<J . O O "7 A O OO f HO £. . U ^y OD 1 .82316 2200

2210 0 .80787 1 .90081 1 . 79950 0.84532 1 .96202 1 .81114 0 . O O O "J 1 ooZi 1 £. . 02 1 5 o 1 .82174 2210

2220 0 . 80294 1 . 89269 I . 79790 0 . 84029 I . 95384 1 . 80963 0 . O "7 "7 1 "7 .01 336 1 . 82032 2220

Z2 30 U . 1 you 5 1 .88462 1 . 79629 r\ o o c T ^ 0. V)ioc^ 1 . 94572 1 . 808 10. 87207 2 .00518 1 .81889 2230

2240 r\U I .87658 1 .79468 0.83033 1 .93763 1 .80659 0. 86701 1 .99705 1 .81745 2240

O 1 C f> c.c.oyj 0 .78837 1 . 86859 1 n 1 n z. . f 9306 1 . 92 958 1 a f\ r\ ~i . 8050 f u . OO ly o 1 Q Q Q Q C

1 .81602 o 1 c 2250

0 .78359 1 . 86064 1 . 79143 0.82051 1 .92158 1 . 80354 0 . O C £. O O 85699 1 . 98090 1 o 1 y c "7 . 8 1457 2260

22 70 U

"7 "7 Q O A

. / 1 oo*» 1 .85274 1 .78981 0.8 1566 1 . 91362 1 . 80200 0. 85204 1 .97290 1 .81312 2270

o 1 o r\ 0

T "7 /. 1 1

. f I 4 1 J 1 . 84487 1 .78817 0.8 1084 1 . 90571 1 . 80046 0. 84712 1 .96493 1 .81 167 2280

2290 0 1 .83705 1 .78653 0.80605 1 .89783 1 .79892 0. 84223 1 .95700 1 .81021 2290

2300 0 .76481 1 .82927 1 . 78488 0.80130 1

r\ r\ fs r\ . 89000 1 . 79736 0. 83738 1 . 949 1

1 . 80875 2300

2310 0 .76019 1 .82153 1 . 78323 0 . 79659 1 . 88220 1 . 79581 0. 83256 1 . 94128 1 . 80728 2310

2320 0 . 75562 1 .81383 1 .78157 0. 79 190 1 . 87445 1 .79^25 0. 82778 1 .93347 1 .80581 2320

2330 0 .7510 7 1 .80617 1 .77991 0.78726 1 .86673 1 . 79268 0. 82303 1 .92571 1 .80433 2330

2340 0 . 74656 1 .79855 1 .77825 0.78264 1 .85906 I .79111 0. 81832 1 .91798 1 .80284 2340

2350 0 .74208 1 .79097 I .77657 0.77805 1 . 85142 1 . 78953 0. 81363 1 . 9 1030 1 .80136 2350

2360 0 .73763 1 .78343 1 . 77490 0.77350 1 . 84383 1 . 78795 0. 80898 1 .90265 1 .79986 2360

2370 0 .73322 1 . 77593 1 . 77321 0.76898 1 . 83627 1 . 78636 0. 80436 1 . 89505 1 .79837 2370

2380 0 .72883 1 .76847 1 . 77152 0.76450 1 .82875 1 . 78477 0. 79978 1 .88748 1 .79686 2380

2390 0 . 72448 1 .76105 1 .76983 0.76004 1 .82127 1 .78318 0. 79522 1 .87995 1 .79536 2390

2400 0 . 720 16 1 .75366 1 . 76813 0.75562 1 .81383 1 .78157 0. 79070 1 .87245 1 .79384 2400

2410 0 .71587 1 .74631 1 . 76643 0. 75122 1 .80643 1 .77997 0. 78621 1 . 86500 1 .79233 2410

2420 0 .71161 1 . 73900 1 . 76472 0. 74686 1 .79906 1 . 77836 0. 78175 1 .85758 1 . 79080 2420

2430 0 .70738 1 .73173 1 . 76301 0. 74253 1 . 79173 1 . 77674 0.77732 1 .85020 1 .78928 2430

2440 0 .70318 1 .72449 1 .76129 0.73822 1 .78444 1 .77512 0.77292 1 .84285 1 .78775 2440

2450 0 .69901 1 .71729 1 . 75956 0.73395 1 .77718 1 .77349 0.76855 1 .83554 1 .78621 2450

2460 0 .69486 1 .71013 1 .75783 0.72971 1 . 76996 1 .77186 0. 76421 1 .82827 1 .78467 2460

2470 0 .69075 1 . 70300 1 . 75610 0. 72549 1 . 76277 1 . 77023 0. 75990 1 .82103 1 .78312 2470

2480 0 .68667 1 .69591 1 . 75436 0.72131 1 . 75563 1 . 76859 0. 75562 1 .81383 1 .78157 2480

2490 0 .68261 1 .68885 1 . 75262 0.71715 1 . 74851 1 . 76694 0. 75136 1 .80667 1 .78002 2490

2500 0 .67858 1 .68183 1 .75087 0.71302 1 .74143 1 .76529 0. 74714 1 .79953 1 .77846 2500

2510 0 .67459 1 .67484 1 . 74911 0.70892 1 . 73439 1 .76363 0. 74294 1 .79244 1 .77690 2510

2520 0 .67061 1 .66789 1 . 74736 0.70485 1 .72738 1 .76197 0. 73878 1 .78538 1 .77533 2520

2530 0 .66667 1 .66098 1 .74559 0.70081 1 .72041 1 .76031 0. 73464 1 .77835 1 .77376 2530

2540 0 .66275 1 .65409 1 .74382 0.69679 1 .71346 1 .75864 0. 73053 1 .77135 1 .77218 2540

2550 0 .65886 1 .64724 1 .74205 0.69280 1 .70656 1 .75697 0. 72644 1 .76439 1 .77060 2550

2560 0 .65500 1 .64043 1 .74027 0.68884 1 .69968 1 .75529 0. 72239 1 .75747 1 .76901 2560

2570 0 .65117 1 .63365 1 .73849 0.68491 1 .69284 1 .75361 0. 71836 1 .75057 1 .76742 2570

2580 0 .64736 1 .62690 1 .73670 0.68100 1 .68604 1 .75192 0. 71435 1 .74371 1 .76582 2580

2590 0 .64357 1 .62019 1 . 73491 0.67712 1 .67926 1 .75023 0.71038 1 .73688 1 .76422 2590

638951 O - 62 - 14

C°

P cm

V

-1

201
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

1/ -(F°-Eg)/T so C° -(F°-E°)/t S° C° -(F°-E°)/t S°

cm

''"

T=290C. T=3000. T=3100.

2600 0.63981 1 .61350 1 .73311 0.67326 1 .67252 1 .74853 0.70643 1 .73009 1 .76262 2600

2610 0.63608 1 . 60685 1 .73131 0- 66943 1 .66581 1 .74683 0. 70250 1 .72333 1 .76101 2610

2620 0.63238 1 .60024 1 .72950 0.66562 1 - 65914 1 .74512 0. 69860 1 .71659 1.75940 2620

2630 0.62869 1 .59365 1 -72769 0. 66184 1 .65249 1 .74341 0. 69473 1 .70990 1 .75778 2630

2640 0.62504 1 .58710 1 .72588 0. 65809 1 .64588 1 .74169 0. 69088 1 .70323 1 .75616 2640

Z6d0 0.6Z141 1 . 58058 1 .72406 0. 65436 1 .63930 1 .73998 0. 68706 1 . 69659 1 .75453 2650

2660 0.61780 1 .57409 1 .72223 0. 65066 1 . 63275 1 . 73825 0

68326 1 .68999 1 .75290 2660

2670 0.61422 1 .56763 1 .72040 0. 64698 1 . 62623 1 . 73652 0. 67949 1 •68341 1.75126 2670

2680 0.61066 1 .56120 1 .71857 0.64332 1 .61974 1 .73479 0. 67574 1 .67687 1L "7AO A 9 2680

2690 0.60712 I .55480 1 .71673 0. 63969 1 .61328 1 .73305 0. 67202 1 .67035 1

"7 /. T 0 Q 2690

Z 1 00 0.60361 1 .54844 1 .71489 0. 63608 1 . 60685 1 .73131 0. 66832 1 . 66387 1 .74633 2700

Z r iU 0 . 6001

1 .54210 1 .71304 0. 63250 1 . 60046 1 . 72956 0. 66465 1 .65742 1 .74468 2710

2720 0 . 59666 1 .53579 1.71119 0. 62894 I . 59409 1 .72781 0. 66099 1 .65100 I 7 1 n 0 2720

2730 0.59322 1 .52952 1I 0. 62540 1 .58775 1 .72606 0. 65737 1 .64460 11

7/.. 1 A 2730

2740 0.58980 1 .52327 1 T A "I A "7 0. 62189 1 .58144 1 .72430 0. 65376 1 .63824 1X • f 0^ i\) 2740

o "T c r\ 0 . 58640 1 .51705 1 .70561 0.61840 1 .57517 1 .72254 0. 65018 1 -63190 1 .73803 2750

Z760 0 . 58303 1 .51087 1 .70374 0.61493 1 . 56892 1 .72077 0. 64662 1 .62560 I .73636 2760

T -7 -7 1-1 Z770 0. 57968 1.50471 1

"7 r» 1 D "J 0. 61149 1 . 56270 1 .71 900 0. 64309 1 .61932 11 . f moo 2770

2780 0.57635 1 .49858 1

z. 0 r» n 0.60806 1 .55650 1 .71722 0. 63957 I .61307 L . 1 J jUU 2780

2790 0.57305 1 .49248 1 . 6981

0. 60466 1 .55034 1 .71544 0. 63608 1 .60685 11 2790

ZoOO 0 . 56976 1 .48640 I .69622 0. 60128 1 • 5442

1

"» 1 1 z z .71 366 0.63261 1 .60066 1 .72962 "i Ct f\ r\ 2800

ZB 10 0 . 56650 1 -48036 1 .69433 0. 59793 1 .53810 1 .71187 0. 62917 1 .59450 1 .72793 2810

T 0 1 r\ ZoZO f\ c z 1 T z 0. 56326 1 .47435 1 . 69243 0. 59459 1 . 53202 1 .71008 0. 62574 1 .58836 1 .72623 T 0 O Z8Z0

2830 0.56004 1.46836 1 .69053 0.59128 1 .52597 1 .70828 0. 62234 1 .58226 1 .72453 2830

2840 0.55684 1.46240 1 . 68863 0. 58799 1 .51995 1 .70648 0. 61896 1 .57618 1 .72282 2840

2850 0.55366 1 .45647 1 .68672 0. 58471 1 .51396 1 .70467 0. 61560 1 .57012 1 .72111 2850

2860 0.55050 1 .45056 1 .68481 0. 58146 1 .50799 1 .70286 0. 61226 1.56410 1 .71940 2860

2870 0. 54737 1 .44468 1 -68290 0. 57824 1 .50205 1 .70105 0.60894 1 .55810 1 .71768 2870

2880 0.54425 1 .43883 I .68098 0. 57503 1 .49613 1 .69923 0. 60565 1 .55213 1 .71596 2880

2890 0.54115 1 .43301 1 .67905 0. 57184 1 .49025 1 .69741 0. 60237 1 .54618 1 .71423 2890

2900 0. 53808 1 .42721 1 .67713 0. 56867 1 .48439 1 .69559 0.59912 1 .54026 1 .71250 2900

2910 0. 53502 1 .42144 1 .67519 0. 56552 1 .47855 1 .69376 0. 59588 1 .53437 1 .71077 29 10

2920 0.53198 1 .41570 1 .67326 0. 56240 1 .47275 1.69193 0. 59267 1 .52851 1 .70903 2920

2930 0.52897 1.40998 1 .67132 0. 55929 1 .46696 1 .69009 0. 58947 1.52267 1 .70729 2930

2940 0.52597 1 .40429 1 .66937 0- 55620 1.46121 1 .68825 0. 58630 1 .51685 1 .70555 2940

2950 0.52299 1 .39863 1 .66743 0. 55313 1.45548 1 .68641 0. 58314 1 .51106 1 .70380 2950

2960 0.52003 1 .39299 1 .66548 0. 55008 1 .44978 1.68456 0.58000 1 .50530 1 .70205 2960

2970 0.51709 1 ,38737 1 .66352 0.54705 1 .44410 1 .68270 0.57689 1 .49956 1 .70029 2970

2980 0.51417 1 .38179 1 .66156 0. 54404 1 .43844 1 .68085 0. 57379 1 .49385 1.69^53 2980

2990 0.51127 1 .37622 1 .65960 0. 54105 1 .43282 1 .67899 0. 57071 1 .48816 1 .69677 2990

3000 0.50839 1 .37068 I .65763 0. 53808 1 .42721 1 .67713 0. 56765 1.48250 1 .69500 3000

3010 0.50552 1 .36517 1 .65566 0. 53512 1 .42164 1 .67526 0. 56461 1 .47686 1.69323 3010

3020 0.50268 1 .35968 1 .65369 0. 53219 1 .41608 1 .67339 0. 56159 1 .47125 1.69145 3020

3030 0.49985 1.35422 1 .65171 0. 52927 I .41055 1 .67151 0. 55859 1 .46566 1 .68968 3030

3040 0.49704 1 -34878 1 .64973 0. 52637 1 .40505 1 .66963 0. 55560 1 .46010 1 .68789 3040

3050 0.49424 1 .34337 1 .64774 0. 52349 1 .39957 1 .66775 0. 55264 1 .45456 1 .68611 3050

3060 0.49147 1 .33798 1 .64575 0. 52062 1 .39411 1 .66587 0. 54969 1 .44904 1.68432 3060

3070 0.48871 1 .33261 1 .64376 0. 51778 1 -38368 1 .66398 0. 54676 1 .44355 1 .68253 3070

3080 0.48597 1 .32727 1 .64176 0. 51495 1 .38327 1 .66208 0.54385 1 .43808 1 .68073 3080

3090 0.48325 1 .32195 1 .63976 0. 51214 1 .37789 1 .66019 0. 54095 1 .43264 1 .67893 3090

c°

p V

-1 cm

202
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

V

-1

-(F°_Eo)/t

T=

S°

2900.

C°

Jr -(f°-e°)/t

T=

S°

3000.

C°

p

-(FO-Eo)/t

T=

S°

3100.

CO

p

V

-1 cm

3100 0. 48054 1. 31665 1. 63776 0.50935 1. 37253 1. 65829 0.53808 1. 42721 1.67713 3100

3110 0. 47785 1. 31138 1. 63575 0.50657 1. 36719 1. 65638 0.53522 1.42182 1.67532 3110

3120 0.47518 1. 30613 1. 63374 0.50381 1. 36188 1. 65448 0.53238 1. 41644 1.67351 3120

3130 0. 47253 1. 30091 1. 63173 0.50107 I. 35658 1. 65257 0.52955 1. 41109 1.67169 3130

3140 0. 46989 1. 29571 1. 62971 0.49835 1. 35132 1. 65065 0.52674 1. 40576 1.66988 3140

3150 0. 46727 1. 29053 1. 62769 0.49564 1. 34607 1. 64874 0.52395 1. 40045 1.66806 3150

3160 0. 46466 1. 28537 1. 62567 0.49295 1. 34085 1. 64681 0.52118 1. 39517 1.66623 3160

3170 0. 46207 1.28024 1. 62364 0.49027 1. 33565 1. 64489 0.51842 1. 38991 1.66440 3170

3180 0. 45950 1. 27513 1. 62161 0.48761 1. 33047 1. 64296 0.51568 1. 38467 1.66257 3180

3190 0. 45694 1. 27004 1. 61957 0.48497 1. 32531 1. 64103 0.51295 1. 37945 1.66074 3190

3200 0.45440 1.26498 1 .61754 0.48234 1. 32018 1. 63910 0. 51025 1. 37425 1 .65890 3200

3210 0.45188 1.25993 1 .61550 0.47973 1. 31507 1. 63716 0. 50755 I. 36908 1 .65706 3210

3220 0.44937 1.25491 1 .61345 0.47714 1. 30998 1. 63522 0. 50488 1. 36393 1 .65522 3220

3230 0.44687 1.24991 1 .61 140 0.47456 1. 30491 1. 63327 0. 50222 1. 35880 1 .65337 3230

3240 0.44439 1.24493 1 .60935 0.47200 1. 29987 1. 63133 0. 49957 1. 35369 1 .65152 3240

3250 0.44193 1.23998 1. 60730 0. 46945 1. 29484 1. 62938 0. 49695 1. 34861 1.64966 3250

3260 0.43948 1.23504 1. 60524 0. 46692 1. 28984 1. 62742 0. 49433 1. 34354 1.64781 3260

3270 0.43705 1.23013 1. 60318 0. 46440 1. 28486 1. 62547 0. 49174 1. 33850 1.64595 3270

3280 0.43463 1.22524 1. 60112 0. 46190 1. 27990 1. 62350 0. 48915 1. 33347 1.64408 3280

3290 0.43223 1.22037 1. 59905 0. 45941 1. 27496 1. 62154 0. 48659 1. 32847 1.64222 3290

3300 0. 42984 1 .21552 1. 59698 0.45694 1. 27004 1. 61957 0. 48404 1. 32349 1 .64035 3300

3310 0. 42747 1 .21069 1. 59491 0.45449 1. 26514 1. 61760 0. 48150 1. 31853 1 .63847 3310

3320 0. 42511 1 .20588 1. 59283 0.45204 1. 26027 1. 61563 0. 47898 1. 31359 1 .63660 3320

3330 0. 42276 1 .20109 1. 59075 0.44962 1. 25541 1. 61366 0. 47647 1. 30867 1 .63472 3330

3340 0. 42043 1 .19632 1. 58867 0.44720 1. 25058 I. 61168 0. 47398 1. 30377 1 .63283 3340

3350 0.41812 1. 19158 1. 58659 0.44481 1. 24576 1. 60970 0.47150 1. 29889 1.63095 3350

3360 0.41582 1. 18685 1. 58450 0.44242 1. 24097 1. 60771 0.46904 1. 29404 1.62906 3360

3370 0.41353 1. 18215 1. 58241 0.44005 1. 23619 1. 60572 0.46659 1. 28920 1.62717 3370

3380 0.41126 1. 17746 1. 58032 0.43770 1. 23144 1. 60373 0.46416 1. 28438 1.62528 3380

3390 0.40900 1. 17280 1. 57822 0.43536 1. 22670 1. 60174 0.46174 1. 27958 1.62338 3390

3400 0.40675 1. 16815 1 .57612 0.43303 1. 22199 1. 59974 0.45933 1. 27480 1.62148 3400

3410 0.40452 1. 16352 1 .57402 0.43072 1. 21729 1. 59774 0.45694 1. 27004 1.61957 3410

3420 0.40230 1. 15892 1 .57191 0.42842 1. 21262 1. 59574 0.45457 1. 26530 1.61767 3420

3430 0.40009 1. 15433 1 .56980 0.42613 1. 20796 1. 59373 0.45220 1. 26058 1.61576 3430

3440 0.39790 1. 14976 1 .56769 0.42386 1. 20332 1. 59173 0.44985 1. 25588 1.61385 3440

3450 0. 39572 1. 14522 1. 56558 0. 42160 1. 19870 1. 58971 0. 44752 1.25120 1.61193 3450

3460 0. 39355 1. 14069 1. 56346 0. 41935 1. 19411 1. 58770 0. 44519 1.24654 1.61002 3460

3470 0. 39140 1. 13618 1. 56135 0. 41712 1. 18953 1. 58568 0. 44288 1.24189 1.60809 3470

3480 0. 38926 1. 13169 1. 55922 0. 41490 1. 18497 1. 58366 0. 44059 1.23727 1.60617 3480

3490 0. 38713 1. 12722 1. 55710 0. 41269 1. 18043 1. 58164 0. 43830 1.23266 1.60425 3490

3500 0. 38502 1. 12277 1. 55497 0.41050 1. 17590 1.57962 0.43603 1 .22807 1.60232 3500

3510 0. 38292 1. 11833 1. 55284 0.40832 1. 17140 1.57759 0.43378 1 .22351 1.60039 3510

3520 0. 38083 1. 11392 1. 55071 0.40615 1. 16691 1.57556 0.43154 1 .21895 1.59845 3520

3530 0. 37875 1. 10952 1. 54858 0.40400 1. 16245 1.57353 0.42930 1 .21442 1.59651 3530

3540 0. 37669 1. 10514 1. 54644 0.40186 1. 15800 1.57149 0.42709 1 .20991 1.59457 3540

3550 0.37464 1.10078 1. 54430 0.39973 1. 15357 1. 56945 0. 42488 1.20541 1. 59263 3550

3560 0. 37260 1.09644 1. 54216 0.39761 1. 14916 1. 56741 0. 42269 1. 20094 1. 59069 3560

3570 0. 37057 1.09212 1. 54001 0.39550 1. 14476 1. 56537 0. 42051 1. 19648 1. 58874 3570

3580 0. 36856 1.08782 1. 53787 0.39341 1. 14039 1. 56332 0. 41834 1. 19204 1. 58679 3580

3590 0. 36655 1.08353 1. 53572 0.39133 1. 13603 1. 56128 0. 41619 1. 18761 1. 58484 3590

203
Table 11 Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

y -(f°-eo)/t so c° -(f°-e°)/t s° c° -(f°-e°)/t s°

cm

T=2900. T1 T1 J i u u •

3600 0. 36456 1 .07926 1 .53357 0. 38926 1 .13169 1 .55922 0. 41404 1 . 18321 1 .58288 3600

0. 36258 1 .07501 1 . J D 1.^ L D O 1 c. I, 1X

1L m iSTI JJ i LI7 0. 41191 1 17000 1I J \J C- \J 0. 36062 1 .07078 1X • J t 7 fc. O n 1> O ^ J. o

1X11 . Z? 3/ P X ^ 0. 40980 11 • J. / *T*f -> 1 c;7 ft QA

3630 0. 35866 1 .06656 1 \j . J O J i J

1X . X X O 1 o1

i. . J J J ^ ij 0. 40769 1

J. 17010 1

J. R 77nn

3640 0. 35671 1 .06236 1 . 52494 0 . J H\J i.1 1I. 1X.

1X . X X ^ -J X1X 1 no 0. 40560 1. 1

J.

3650 0. 35478 1.05818 1 .52277 0. 37910 1 .11025 1 .54893 0.40351 1 . 16144 1 .57307 3650

3660 0.35286 1.05402 \ . J t. U U i. 0 . 3771 n 1X . X *J L> C. 1 . 54687 0.40144 X1 . X 1 X

1X m S7J t 1XXL/ 1 0 ^ D 0W 3670 0. 35095 1 .04987 \ .51 844 0 . 37512 \ .10180 1 .54480 0. 39938 1X . 15286 1X . ^ U 7 X ^ 3680 0. 34905 1 .04574 \ .51627 0. 37314 X . 09760 1 .54273 0. 39734 1X . 1 4flS9 1X .56715

3690 0. 34716 1 .04163 \ .51410 0 . 371 18 \ . U 7 J "T C. 1 .54066 0. 39530 1X . 1X 44')4 -/ 1X m J V J 1.1 7t 3690

3700 0. 34529 1 .03754 1 .51192 0. 36923 1 .08925 1 . 53858 0. 39328 1 . 14011 1 .56319 3700

3710 0. 34342 1 .03346 1 .50974 0 . 36729 1 .08510 1 .53651 0. 39126 \ .13589 I .56121 3710

3720 0. 34157 1 .02940 1 .50757 0. 36536 1X . 08097 1 .53443 0. 38926 X . X J X U 7

1X SSQ?? ^7?0

3730 0. 33972 1 .02535 1 .50538 0 . 36344 1 .07685 1 .53235 0. 38727 I .12751 I . 55724 3730

3740 0. 33789 1 .02133 1 .50320 0. 36153 1^ .07275 1 .53026 0. 38529 X1 . 123 34 X1 555?S 3740

3750 0. 33607 1 .01732 1 .50102 0. 35964 1 .06867 1.52818 0. 38332 1 .11919 1 .55326 3750

3760 0. 33426 1 .01332 1 .49883 0 . 35775 1 .52609 0. 38137 I . 1 1506 X1 . 55 126 3760

3770 0. 33246 1 .00934 1 .49664 0. 35588 . 06055 1 .52400 0. 37942 I . 1 1094 I . 54927 3770

3780 0. 33067 1 .00538 1 .49445 0. 35401 .05651 1 .52191 0. 37749 1X . 10684 I . 5^727 3780

3790 0. 32889 1 .00144 1.49226 0. 35216 1X .05 250 1 .51981 0. 37556 1X 1 0?7 5 1X 3790

3800 0. 32712 0 .99751 1 .49006 0. 35032 1 .04849 I .51772 0. 37365 1 .09868 1 .54327 3800

0. 32536 0 .99359 1 .48786 0. 34848 1X . ClAWi \J^^ J 1X 1 .51562 0. 37175 1X 1X S4 1 ?ft ^fl J 0 1X 0w 3820 0. 32361 0 .98970 1 .48567 0. 34666 1L 1 .51352 0. 36986 1X » 090'i9 \j 7 \j J 7

1X m J ^ 7 C J ^870 JO

J O J w 0. 32187 0 .98582 1 .48346 0. 34485 1X . \J J J o 1 .51141 0. 36797 1X . vj 0 u ^ 1 1X 0.32014 0.98195 1 .48126 0. 34305 1X 1 .50931 0. 36610 1X . \j 0 ^ J

1X • J J J £. D J^R40 0 ^ vj

3850 0. 31842 0 .97810 1 .47906 0. 34126 1 .02872 1 .50720 0. 36424 1 .07857 1 .53322 3850

J o o w 0. 31672 0 .97427 1 .47685 0. 33948 1 .02482 1 .50509 0. 36239 1X n74A0 1X S ^ 1 70 ^H80 J 0\J\J

0. 31502 0 .97045 1 .47464 0.33771 1 .02092 1 .50298 0. 36055 1X 070 A4 1X 7Q 1 Q ^ A70

u o w 0. 31333 0 .96665 1 .47243 0.33595 1 .01705 1 .50087 0. 35872 1X • U U U 1 \J I .52717 3880

-J o ^ w 0. 31165 0 .96286 1 .47022 0. 33420 1 .01319 I .49876 0.35690 1X » yj \j c 1 1 1X S ? 5 1 4 3890

3900 0. 30998 0 .95909 1 .46801 0. 33246 1 .00934 1 .49664 0. 35509 1 .05886 1 .52312 3900

-J J J. u 0. 30832 0 .95533 1 .46579 0. 33073 1 .00551 1 .49452 0. 35329 11 L1 . ^? 1X X

1 0u

"^Q 1 0

3920 0. 30667 0 .95159 1 .46358 0.32901 1 .00170 1.49240 0. 35150 1 .05107 I .51907 3920

3930 0. 30503 0 .94786 1 .46136 0. 32729 0 .99790 1 .49028 0. 34972 1 .04721 1 .51704 3930

3940 0. 30340 0 .94415 1 .45914 0. 32559 0.99411 1 .48816 0.34795 1 .04335 1 .51501 3940

3950 0. 30178 0 .94046 1 .45692 0. 32390 0 .99034 1 .48603 0.34619 1 .03952 1 .51297 3950

3960 0. 30017 0 .93677 1 .45469 0. 32222 0.98659 1 .48390 0. 34444 1 .03569 1 .51094 3960

3970 0. 29856 0 .93311 1 .45247 0. 32055 0.98285 1.48178 0. 34270 1 .03189 1 .50890 3970

3980 0. 29697 0 .92946 1 .45024 0.31888 0 .97913 1 .47965 0. 34097 1 .02809 1 .50686 3980

3990 0. 29538 0 .92582 1 .44801 0. 31723 0.97541 1 .47751 0. 33925 1 .02431 1 .50482 3990

4000 0. 29381 0.92220 1 .44578 0. 31558 0 .97172 1 .47538 0. 33754 1 .02055 1 .50278 4000

c°

p cm

204
V

-1 cm

Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

(F0-E°)/T S° c°

p

-(F°-Eg)/T so C°

P

-(f°-e°)/t s° c°

p

V

cm

T= 3200. T= 3300. T= 3400.

100 6. 20856 8. 15139 1 .98683 6. 26837 8.21253 1.98685 6. 32642 8.27184 1.98687 100

Tin o • 7 11 QR A7 A AO . U O J £ I 8. 02317 A\j . 1 41 ?n 8. 08248 J. . 7 0 0 0 1. 1X 1X nu 120 5. 85512 7. 78916 I .98669 5. 91466 7. 85030 1.98672 5. 97246 7. 90961 1.98674 120

130 5. 70049 7, 63015 1 .98660 5. 75989 7. 69128 1.98664 5. 81757 7. 75059 1.98667 130

140 5. 55764 7. 48293 1 .98651 5. 61692 7 1.98655 5. 67447 7 AA-J-l A 0 U ^ -> Q 1.98659 140

150 5. 42496 7. 34587 1 .98642 5. 48410 7. 40700 1.98646 5. 54153 7. 46630 1.98650 150

1 AO 0 • 7 O l 7 A Q ^ 1 f O O

1L • 7 O O J 1 c

J • a A n 1 i 7. 27880 1 . 70 O ^ O A 1 744 7. 33810 X . 7 0 0 ^ X 11, AD0 u 170 5. 18507 7. 09726 1 .98620 5. 24394 7. 15838 1.98626 5. 30113 7. 21768 1.98631 170

180 5. 07589 6. 98373 1 .98609 5. 13464 7. 04485 1.98615 5. 19170 7. 10414 1.98621 180

190 4. 97286 6. 87636 1 .98596 5. 03147 O • Q "X 1 L.n 1.98603 5. 08841 6. 99676 1.98610 190

200 4. 87533 6. 77449 1 .98583 4. 93381 6. 83560 1.98591 4. 99062 6. 89489 1.98598 200

4. 78278 o • A 7 T A 1 1 t

R A. 1 1 ^ 6. 73871 1 O R ^ 7 R 4. 89781 6. 79799 1 QR <N R A ^ lU

220 4. 69473 6. 58524 1 .98555 4. 75295 6. 64634 1.98565 4. 80951 6. 70561 1.98573 220

230 4. 61079 6. 49698 1 .98540 4. 66888 6. 55807 1.98551 4. 72532 6. 61735 1.98560 230

240 4. 53060 6. 41248 1 .98524 4. 58856 O • A7 1 7 1.98536 4. 64488 6. 53284 1.98546 240

250 4.45387 6. 33145 1 .98508 4. 51170 6. 39253 1.98520 4. 56789 6.45180 1.98532 250

t9 AHOU 4. 38031 O «

1I QR AQ 1 *T • A 1 RH 1 6. 31467 1

1 • Qfl«;nA 70 3 U*T 4.49408 6. 37393 1 Q R C 1 7 <C9 AHOU

270 4. 30969 6. 17868 1 .98473 4. 36726 6. 23976 1.98488 4. 42321 6. 29902 1.98501 270

280 4. 24180 6. 10651 1 .98455 4. 29924 6. 16758 1.98470 4. 35506 6. 22683 1.98485 280

290 4, 17644 6. 03687 1 .98436 4. 23375 6. 09794 1.98452 4. 28945 6. 15718 1.98468 290

300 4. 11344 5. 96960 1 .98416 4. 17062 6. 03066 1.98434 4. 22620 6. 08990 1.98450 300

310 4. 05265 5. 90454 1 .98396 4. 10970 5. 96560 1.98415 4. 16516 6. 02483 1 . 98432 3 10

320 3. 99392 5. 84156 1 .98375 4. 05084 5. 90261 1.98395 4. 10618 5. 96184 1.98414 320

330 3. 93713 5. 78052 1 .98353 3. 99392 5. 84156 1.98375 4. 04914 5. 90078 1.98394 330

340 3. 88216 5. 72131 1 .98330 3. 93882 1.98353 3. 99392 5. 84156 1.98375 340

350 3. 82891 5. 66382 1.98307 3. 88544 5. 72485 1.98332 3. 94042 5. 78406 1.98354 350

J u w 3. 77728 5.60796 1 .98284 3. 83368 5. 66898 1 QH 11

3. 88854 5. 72818 ^ 9 J \J J J J 370 3. 72718 5. 55364 1 .98259 3.78345 5. 61465 1.98287 3. 83819 5. 67385 1.98312 370

380 3. 67853 5. 50077 1 .98234 3.73467 5. 56177 1.98263 3. 78929 5. 62096 1.98289 380

390 3. 63125 5. 44928 1 .98209 3. 68727 1.98239 3- 74176 5. 56946 1.98267 390

400 3. 58527 5. 39910 1 .98182 3. 64116 5. 46009 1.98214 3. 69554 5. 51926 1.98243 400

41 f) 3. 54053 5. 35017 1 .98155 3. 59630 5. 41115 3. 65055 5. 47032 X . 7 0 A X 7 4t 1 fi X u 420 3. 49698 5. 30242 1 .98128 3. 55262 5. 36339 1.98163 3. 60675 5.42255 1.98195 420

430 3. 45454 5. 25580 1 .98099 3. 51006 5. 31677 1.98136 3. 56407 5. 37592 1.98170 430

440 3. 41318 5. 21026 1 .98070 3. 46857 J . ^ 1 X ^ A 1.98109 3. 52246 5. 33036 1.98144 440

450 3. 37284 5. 16575 1 .98040 3. 42810 5. 22670 1.98081 3. 48188 5. 28584 1.98118 450

3. 33348 5. 12223 1 .98010 3. 38861 5. 18317 1 . 7 0 V/ ^ A 3.44227 5. 24230 1 QROQI 4An

470 3. 29506 5. 07965 1 .97979 3. 35006 5. 14058 1.98023 3.40360 5. 19970 1.98063 470

480 3. 25753 5. 03797 1 .97947 3. 31241 5. 09889 1.97993 3. 36583 5. 15800 1.98035 480

490 3. 22086 4. 99716 1 .97915 3. 27561 5. 05807 1.97963 3. 32891 5. 11717 1.98007 490

500 3. 18502 4. 95718 1 .97882 3. 23965 5. 01808 1.97932 3. 29283 5. 07717 1.97977 500

510 3. 14996 4. 91800 1 .97849 3. 20447 4. 97888 1.97900 3. 25753 5. 03797 1.97947 510

520 3. 11567 4. 87958 1 .97814 3. 17005 4. 94046 1.97868 3. 22299 4. 99954 1.97917 520

530 3. 08211 4. 84190 1.97779 3. 13636 4. 90277 1.97835 3. 18919 4. 96184 1.97886 530

540 3. 04926 4. 80494 1 .97744 3. 10338 4. 86580 1.97802 3. 15609 4. 92485 1.97855 540

550 3. 01708 4. 76866 1 .97707 3. 07108 4. 82950 1.97767 3. 12367 4. 88855 1.97822 550

560 2. 98555 4. 73304 1 .97670 3. 03943 4. 79387 1.97733 3. 09191 4. 85291 1.97790 560

570 2. 95466 4. 69805 1 .97633 3. 00842 4. 75888 1.97697 3- 06077 4. 81790 1.97756 570

580 2. 92437 4.66368 1 .97595 2. 97801 4. 72450 1.97661 3. 03025 4. 78351 1.97722 580

590 2. 89468 4. 62991 1 .97556 2. 94819 4. 69071 1.97625 3. 00031 4. 74972 1.97688 590

205
1/-1 cm

Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

.(Fo_eo)/t s° c°

p

-(f°-e°)/t s° c°

p

-(F°-Eo)/T s°

p

1/-1

T= 3200. T= 3300. T= 3400.

600 2.86555 4. 59671 1 .97516 2.91893 4. 65750 1.97588 2.97094 4. 71650 1 .97653 600

610 2 .83697 4. 56406 1 .97476 2.89023 4. 62484 1 .97550 2.94212 4. 68383 1 .97617 610

620 2 .80891 4. 53196 1 .97435 2.86205 4. 59272 1 .97511 2.91383 4. 65170 1 .97581 620

630 2.78138 4. 50037 1 .97394 2.83439 4. 56112 1.97472 2.88605 4. 62009 1 .97544 630

640 2 .75434 4. 46929 1 .97351 2.80723 4. 53003 1 .97433 2.85877 4. 58898 1 .97507 640

650 2 .72778 4. 43869 1 . 97309 2.78055 4. 49942 1 .97392 2.83198 4. 55836 1 .97469 650

660 2 .70169 4. 40857 1 .97265 2.75434 4. 46929 1 .97351 2.80565 4. 52821 1 .97430 660

670 2 .67605 4. 37891 1 .97221 2.72858 4. 43961 1 .97310 2.77977 4. 49853 1 .97391 670

680 2 .65085 4. 34970 1 .97176 2.70326 4. 41038 1 .97268 2.75434 4. 46929 1 .97351 680

690 2 .62608 4. 32091 1 .97131 2.67836 4. 38159 1 .97225 2.72933 4. 44048 1 .97311 690

700 2 .60172 4. 29255 1 .97085 2.65389 4. 35321 1 .97182 2.70474 4. 41209 1 .97270 700

710 2 .57777 4. 26460 1 .97038 2.62981 4. 32525 1 .97138 2.68054 4. 38411 .97229 710

720 2 .55420 4. 23705 1 .96991 2.60612 4. 29768 1 .97093 2.65674 4. 35653 1 .97187 720

730 2 .53102 4. 20988 1 .96943 2.58282 4. 27050 1 .97048 2.63332 4. 32934 1 .97144 730

740 2 .50820 4. 18308 1 .96894 2 , 55988 4. 24369 1 .97002 2.61027 4. 30252 1 .97101 740

750 2 .48575 4. 15666 1 .96845 2.53731 4. 21725 1 .96956 2.58758 4. 27606 1 .97057 750

760 2 .46364 4. 13059 1 .96795 2.51508 4. 19116 1 .96909 2.56525 4. 24996 1 .97013 760

770 2 .44188 4. 10487 1 .96744 2.49319 4. 16543 1 .96861 2.54325 4. 22421 1 .96968 770

780 2 .42045 4. 07948 1 .96693 2.47164 4. 14003 1 .96813 2.52158 4. 19880 1 .96923 780

790 2 .39934 4. 05443 1 .96641 2,45041 4. 11496 1.96764 2.50024 4. 17372 1 .96877 790

800 2 .37854 4. 02970 1 . 96588 2.42950 4. 09021 1 .96715 2.47921 4. 14896 1 .96830 800

810 2 .35806 4. 00528 1 .96535 2.40889 4. 06578 1 .96664 2.45849 4. 12451 1 .96783 810

820 2 .33787 3. 98117 1 .96481 2.38859 4. 04165 1 .96614 2.43807 4. 10036 1.96735 820

830 2 .31797 3. 95736 1 .96427 2.36857 4. 01782 1 .96562 2.41795 4.07652 1 .96687 830

840 2 .29836 3. 93384 1 .96372 2.34884 3. 99428 1 .96511 2.39811 4. 05297 1 .96638 840

850 2.27903 3. 91060 1 . 96316 2. 32939 3. 97103 1 .96458 2. 37854 4. 02970 1.96588 850

860 2.25997 3. 88764 1 .96259 2.31021 3. 94806 1 .96405 2.35925 4. 00671 1 .96538 860

870 2 .24118 3. 86496 1 .96202 2.29130 3. 92535 1 .96351 2.34023 3. 98399 1 .96488 870

880 2 .22264 3. 84254 1 .96145 2.27265 3. 90292 1 .96297 2.32146 3. 96154 1 .96436 880

890 2 .20436 3. 82038 1 .96086 2.25425 3. 88074 1 .96242 2.30295 3. 93934 1 .96385 890

900 2 .18632 3. 79847 1 .96027 2.23609 3. 85882 1 .96187 2. 28469 3.91740 1 .96332 900

910 2 .16853 3. 77681 1 .95968 2.21818 3. 83714 1 .96131 2.26667 3. 89571 1 .96279 910

920 2 .15097 3. 75540 1 .95908 2.20051 3. 81571 1 .96074 2.24888 3. 87426 1 .96226 920

930 2 .13365 3. 73422 1 .95847 2. 18307 3. 79451 1 .96017 2.23133 3. 85305 1 .96172 930

940 2 .11655 3.71328 1 .95785 2. 16586 3. 77355 1 .95959 2.21401 3. 83208 1 .96117 940

950 2 .09968 3. 69256 1 .95723 2. 14886 3. 75282 1 .95900 2. 19690 3. 81132 1 .96062 950

960 2 .08302 3. 67207 1 .95660 2. 13209 3. 73231 1 .95841 2.18002 3. 79080 1 .96006 960

970 2 .06657 3. 65180 1 .95597 2.11552 3. 71202 1 .95781 2.16334 3. 77049 1 .95950 970

980 2 .05033 3. 63174 1 .95533 2.09917 3. 69194 1 .95721 2.14688 3. 75039 1 .95893 960

990 2 .03429 3. 61189 1.95468 2.08302 3. 67207 1 .95660 2. 13062 3. 73051 1.95836 990

1000 2 .01846 3. 59225 1 .95403 2.06706 3. 65241 1 .95599 2. 11456 3. 71083 1 .95778 1000

1010 2 .00282 3. 57281 1 .95337 2.05131 3. 63295 1 .95537 2.09869 3. 69135 1.95719 1010

1020 1 .98737 3. 55357 1 .95270 2.03574 3. 61369 1.95474 2.08302 3. 67207 1 .95660 1020

1030 1 .97211 3. 53452 I .95203 2.02037 3. 59462 1 .95411 2.06753 3. 65299 1 .95601 1030

1040 1 .95703 3. 51567 1 .95135 2.00517 3. 57574 1 .95347 2.05223 3. 63409 1 .95540 1040

1050 1.94213 3. 49700 1 .95067 1.99016 3. 55705 1 .95282 2.03711 3. 61538 1 .95480 1050

1060 1 .92741 3. 47851 1 .94998 1.97533 3. 53855 1 .95217 2.02217 3. 59686 1 .95418 1060

1070 1 .91286 3. 46020 1 .94928 1.96067 3. 52022 1 .95152 2.00740 3. 57851 1 .95356 1070

1080 1 .89849 3. 44207 1 .94858 1.94618 3. 50207 1 .95086 1.99280 3. 56034 1 .95294 1080

1090 1 .88428 3. 42412 1 .94787 1.93185 3. 48409 1 .95019 1.97837 3. 54234 1 .95231 1090

206
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

V -(F°-E°)/T S° C° -(f°-eo)/t S° C° -(f°-e°)/t S°

cm

^

T= 3200. T= 3300. T= 3400.

1100 1 .87023 3. 40633 1 .94715 1.91769 3. 46628 1.94951 1 .96410 3. 52452 1.95167 1100

1 1 1 n 1 .85635 ^RR7 1 1 . ^ 1 u " _^ & . 7 U J *J 7 44864 1 . 94883 1 , 94999 3, 50686 1.95 103 1 1 10

1120 1.84262 3. 37126 1 .94570 1.88985 3. 43117 1.94815 1 .93605 3. 48936 1.95038 1120

1130 1 .82905 3. 35397 1 .94497 1.87617 3. 41386 1.94746 1 .92226 3. 47203 1.94973 1130

1140 1 .81563 3. 33683 1 .94423 1.86264 3. 39670 1.94676 1 .90862 3. 45485 1.94907 1140

1150 I .80236 3. 31986 1 .94348 1.84926 3. 37970 1.94606 1 .89513 3. 43783 1.94841 1150

1 160 1 .78924 3

30303 . 94273 1 . 83602 3. 36285 1 . 94535 1 .88179 3. 42097 1.94774 1 160

1170 1 .77626 3. 28636 1 .94197 1.82293 3. 34616 1.94463 1 .86859 3. 40425 1.94707 1170

1180 1 .76342 3. 26984 1 .94120 1.80998 3. 32961 1.94391 1 .85554 3. 38768 1.94639 1180

1190 I .75073 3. 25346 1 .94043 1.79717 3. 31321 1.94319 1 .84262 3. 37126 1.94570 1190

1200 1 .73817 3. 23722 1 .93966 1.78450 3. 29695 1.94245 1.82984 3. 35498 1.94501 1200

1210 1 .72574 3. 22113 1 . 93887 1.77197 3. 28084 1. 94172 1 .81720 3. 33884 1.94432 1210

1220 1 .71345 3. 20517 1 .93808 1.75956 3.26486 1.94097 1 .80469 3. 32284 1.94361 1220

1230 1 .70129 3. 18936 1 .93729 1.74729 3. 24902 1.94022 1 .79231 3. 30698 1.94291 1230

1240 1 .68925 3. 17367 1 .93648 1.73514 3. 23331 1.93947 1 .78006 3. 29125 1.94219 1240

1250 1 .67734 3. 15812 1 .93568 1.72312 3. 21773 1.93871 1 .76794 3. 27565 1.94148 1250

1260 1 .66556 3. 14270 1 . 93486 1.71123 3. 20229 1 . 93794 1 .75594 3. 26018 1 . 94075 1260

1270 1 .65390 3. 12741 1 .93404 1.69945 3. 18697 1.93717 1 .74406 3. 24485 1.94002 1270

1280 1 .64235 3. 11224 1 .93322 1.68780 3, 17178 1.93639 1 .73230 3. 22963 1.93929 1280

1290 1 .63093 3. 09720 1 .93238 1.67627 3. 15672 1.93560 1 .72066 3. 21454 1.93855 1290

1300 1 .61962 3.08228 1 .93155 1.66485 3. 14177 1.93481 1 .70914 3. 19958 1.93780 1300

1310 1 .60842 3.06749 .93070 1 .65354 3. 12695 1.93402 1 .69773 3, 18473 1.93705 1310

1320 1 .59734 3. 05281 1 .92985 1.64235 3. 11224 1.93322 1 .68644 3. 17000 1.93630 1320

1330 1 .58637 3. 03825 1 .92900 1.63127 3. 09766 1.93241 1 .67525 3. 15539 1.93553 1330

1340 1 .57551 3. 02380 1 .92813 1.62030 3. 08318 1.93160 1 .66418 3. 14090 1.93477 1340

1350 1 .56475 3. 00947 1 .92726 1.60944 3. 06883 1.93078 1 .65321 3. 12651 1.93399 1350

1360 1 .55411 2. 99525 1 . 92639 1 . 59868 3. 05458 1. 92996 1 .64235 3. 11224 1.93322 1360

1370 I .54356 2. 98114 1 .92551 1.58803 3. 04044 1.92913 1 .63160 3. 09808 1.93243 1370

1380 1 .53312 2. 96714 1 .92462 1.57748 3. 02642 1.92829 1 .62094 3. 08403 1.93165 1380

1390 1 .52278 2.95324 1 .92373 1.56703 3. 01250 1.92745 1 .61039 3. 07009 1.93085 1390

1400 1 .51254 2. 93946 1 .92283 1.55668 2. 99868 1.92660 1 .59994 3. 05625 1.93005 1400

1410 I .50239 2. 92577 \ . 92 193 1 . 54643 2. 98497 1 . 92575 1 .58959 3. 04252 1 . 92925 1410

1420 I .49235 2. 91219 1 .92102 1.53627 2. 97137 1.92489 1 .57933 3. 02888 1.92844 1420

1430 1.48239 2. 89872 1 .92010 1.52621 2. 95786 1.92403 1 .56917 3. 01535 1.92762 1430

1440 1.47254 2. 88534 1 .91918 1.51625 2. 94446 1.92316 1 .55910 3.00192 1.92680 1440

1450 1 .46277 2. 87206 1 .91825 1.50638 2. 93115 1.92229 1 .54913 2. 98859 1.92598 1450

i ^ O V 1 .45310 2. 85888 1 . 7 £ f J 2. 91794 1 1 41 1 .53925 2.97536 1L • <)? ~ ^ SJ 1L Js 1470 1.44351 2. 84580 1 .91638 1.48691 2. 90483 1.92052 1 .52946 2. 96222 1.92431 1470

1480 1.43402 2. 83281 1 .91544 1.47730 2. 89181 1.91963 1 .51976 2. 94918 1.92347 1480

1490 1 .42461 2.81991 1 .91448 1.46779 2. 87889 1.91873 1 .51014 2. 93623 1.92262 1490

1500 1.41529 2. 80711 1 .91353 1.45836 2. 86606 1.91783 1 .50061 2. 92337 1.92177 1500

1510 I .40605 2. 79440 1 .91257 1.44902 2.85332 1.91692 1 .49117 2. 91060 1.92091 1510

1520 1 .39690 2. 78178 1 .91160 1.43976 2.84067 1.91601 1 .48181 2. 89793 1.92005 1520

1530 1 .38783 2. 76924 1 .91062 1.43059 2. 82311 1.91509 1.47254 2. 88534 1.91918 1530

1540 1 .37884 2. 75680 1 .90964 1.42149 2. 81563 1.91417 1 .46334 2. 87284 1.91831 1540

1550 1 .36993 2. 74444 1 .90866 1.41248 2. 80325 1.91324 1 .45423 2. 86043 1.91743 1550

1560 1 .36111 2. 73217 1 .90766 1.40355 2. 79095 1,91230 1.44520 2. 84810 1.91655 1560

1570 1 .35236 2. 71999 1 .90667 1.39469 2. 77873 1.91136 1 .43624 2. 83585 1.91566 1570

1580 1 .34368 2. 70788 1 .90566 1.38592 2. 76660 1.91041 1 .42737 2. 82369 1.91477 1580

1590 1 .33509 2. 69586 1 .90465 1.37722 2. 75455 1.90946 1 .41857 2. 81162 1.91387 1590

COP cm

207
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

V -(F°-Eo)/t S° C° -(F°-E°)/t S° C° -(F°-Eo)/t S° C° 7/ -1 P'-' pO p'' --' cm

T=3200. T=3300. T=3A00.

1600 1 .32657 2.68392 1 .90364 1 .36859 2. 74258 1 .90851 1 .40985 2.79962 1 .91296 1600

1610 1 .31812 2.67207 1 .90262 1 .36004 2. 73069 1 .90754 1 .40120 2. 78770 1 .91205 1610

1620 1 .30975 2.66029 1 .90159 1 .35157 2. 71388 1 .90658 1 .39262 2. 77587 1.91114 1620

1630 1 .30145 2.64859 1 .90056 1 .34316 2. 70715 1 .90560 1 .38412 2. 7641

1 .91022 1630

1 .29322 2 .63697 1 . 89952 1 .33483 2. 69550 1 . 90462 1 .37569 2. 75243 1 .90929 1640

1650 1 .28506 2.62542 1 .89848 1 .32657 2. 68392 1 .90364 1 .36733 2. 74082 1 .90837 1650

1660 1 .27697 2.61396 1 .89743 1 .31838 2. 67243 1 .90265 1 .35904 2. 72930 1 . 90 743 1660

1670 1 .26895 2.60256 1 .89638 1 .31025 2. 66100 1 .90166 1 .35082 2. 71784 1 .90649 1670

1680 1 .26100 2.59125 1 .89532 1.30220 2.64965 1 .90066 1 .34267 A y. c

1 .90555 1680

1 o vu 1 .25311 £.m^ O UiJ U 1 Q O A 9 1 .29421 2.63837 1 1 .33458 2. 69516 1 .90460 1690

1700 1 .24530 2.56883 1 .89318 1 .28629 c. . 1 .89864 1 .32657 2. 68392 I .90364 1700

1710 1 .23754 2.55773 1 .89210 1 .27844 c . Ox OU** 1 .89762 1 .31862 2. 67276 1 . 90Z68 1710

1720 1 .22985 2.54670 1 .89102 1 .27065 •5£. . A r* /. Q "7 1 .89660 1 .31073 2. 66167 1 .90171 1720

1730 1.22223 2.53574 1 .88993 1.26292 i . c o a o

1 .89558 1.30291 2. 65065 1 .90074 1730

1 1 hO 1 .21467 o c o y. o c 2. 5Z485 1 . 88884 1 .25526 2. 58306 1 . 89454 1 .29515 2. 63970 1 .89977 1740

1750 1 .20717 2.51403 1 .88774 1 .24766 c . 3 1 <C/i 1 1 .89351 1 .28745 2. 62881 1 .89879 1750

1760 1 .19973 2.50327 1 .88664 1 .24012 2 . 56142 1 .89246 1.27982 2. 61800 1 .89780 1760

1770 1 .19236 2.49259 1 .88553 1 .23264 2. 55070 1 .89142 1 .27224 2. 60725 1 .89681 1770

1780 1. 18504 2.48197 1 .88441 1 .22523 2. 54005 1 .89036 1 .26473 2. 59656 1 .89582 1780

1790 1 .17779 2.47141 1 . 88329 1.21787 2. 52946 1 .88931 1 .25728 2. 58594 1 .89482 1790

1800 1 . 17059 2.46093 1 .88216 1 .21057 2. 5 1894 1 .88824 1 .24989 2. 57539 1 .89381 1800

1810 1 .16345 2.45050 1 .88103 1 .20333 2 . 50348 1 .88717 1 .24255 2. 56490 1 . 89280 1810

1820 1 . 15637 2.44014 1 .87990 1 .19615 2. 49808 1 .88610 1 .23528 2. 55448 1 .89179 1820

1830 1 . 14934 2.42984 1 .87875 1 .18902 2. 48775 1 .88502 1 .22806 2. 54411 1 .89077 1830

1840 1 .14237 2.41961 1 . 87760 1 .18196 2. 47748 1 . 88394 1 .22089 2. 53381 1 .88974 1840

1850 1 . 13546 2.40943 1 .87645 1 . 17494 2. 46728 1 .88285 1 .21378 2. 52357 1 .88871 1850

1860 1 .12860 2.39932 1 .87529 1 . 16798 2. 45713 1 .88175 1 .20673 2. 51339 1 .88768 1860

1870 1 . 12179 2.38927 1 .87413 1 .16108 2. 44704 1 .88065 1 .19973 2. 50327 1 .88664 1870

1880 1 .11504 2.37928 1 .87296 1 .15423 2. 43 701 1 .87955 1 . 19279 2. 49321 1 .88559 1880

1890 1 . 10834 2. 36934 1 .87178 1 . 14743 2. 42705 1 .87844 1. 18590 2. 48321 1 .88454 1890

1900 1 .10170 2.35947 1 .87060 1 . 14069 2. 41714 1 .87732 1 .17906 2. 47327 1 .88349 1900

1910 1 .09510 2.34965 1 .86942 1 .13400 2. 40728 1 .87620 1 .17228 2. 46339 1 .88243 1910

1920 1 .08856 2.33989 1 .86822 1 .12736 2. 39749 1 .87508 1 .16554 2. 45356 1 .88137 1920

1930 1 .08207 2.33019 1 . 86703 1 .12077 2. 38775 1 .87395 1 . 15886 2. 44379 1 .88030 1930

1940 1 .07563 2.32055 1 . 86583 1 .11423 2. 37807 1 .87281 1 .15223 2.43408 1 .87922 1940

1950 1 .06923 2.31096 1 .86462 1 .10774 2. 36844 1.87167 1 .14564 2. 42442 1 .87815 1950

I960 1 .06289 2.30142 1 . 86341 1 .10130 2. 35887 1 .87053 1 .13911 2. 41481 1 .87706 1960

1970 1 .05660 2.29194 1 . 86219 1 .09490 2. 34936 1 .86938 1 .13263 2. 40526 1 .87597 1970

1980 1 .05035 2.28252 1 .86097 1 .08856 2. 33989 1 .86822 1 .12619 2. 39577 1 .87488 1980

1990 1 .04415 2.27314 1 .85974 1 .08226 2. 33049 1 .86706 1 .11980 2. 38632 1 .87378 1990

2000 1 .03800 2.26383 1 .85850 1 .07602 2. 32113 1 .86590 1 .11346 2. 37693 1 .87268 2000

2010 1.03189 2.25456 1 .85727 1 .06981 2. 31183 1 .86473 1 .10717 2. 36760 1 .87157 2010

2020 1 .02583 2.24535 1 .85602 1 .06366 2. 30258 1 .86355 1 .10092 2. 35831 1 .87046 2020

2030 1 .01982 2.23618 1 .85477 1 .05755 2. 29338 1 .86237 1 .09472 2. 34908 1 .86935 2030

2040 1 .01385 2.22707 1 .85352 1 .05148 2. 28423 1 .86119 1 .08856 2. 33989 1 .86822 2040

2050 1 .00792 2.21801 1 .85226 1 .04546 2. 27513 1 .86000 1.08245 2. 33076 1 .86710 2050

2060 1 .00204 2.20900 1 .85100 1 .03948 2. 26608 1 .85880 1 .07638 2. 32168 1 .86597 2060

2070 0 .99620 2.20004 1 .84973 1.03355 2. 25708 1 .85760 1 .07036 2. 31265 1 .86483 2070

2080 0 .99041 2.19113 1 .84845 1 ,02766 2. 24813 1 .85640 1 .06438 2. 30^6 1 .86369 2080

2090 0 .98466 2.18227 1 .84717 1 .02182 2. 23923 1 .85519 1.05844 2. 29473 1 .86255 2090

208
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

V -(f°-e°)/t so c° -(f°-e°)/t s° ca -(f°-e°)/t s°

^

U P

^ Jr Q cm

T=3200. T=3300- T=3400.

2100 0. 97895 2.17345 1 . 84589 1. 01601 2. 23038 1 . 85398 1. 05255 2.28584 1 . 86140 2100

2110 0. 97328 2 . 16469 1 . ff4460 1. 01025 2.22157 1 . 85276 1. 04670 2.27700 1 .86024 2110

2120 0. 96766 2 .15597 1 . 84330 1. 00453 2.21282 1 .85153 1. 04089 2.26820 1 .85909 2120

2130 0. 96207 2 .14730 1 . 84201 0.99885 2.20411 1 . 85031 1. 03512 2.25946 1 .85792 2130

2140 0. 95653 2 .13867 1 .84070 0. 99321 2. 19544 1 .84907 1. 02939 2.25076 1 .85675 2140

2150 0. 95102 2 .13009 1 . 83939 0. 98762 2. 18683 1 . 84783 1. 02370 2.2421

1 .85558 2150

2160 0. 94556 2 .12156 1 . 83808 0. 98206 2. 17825 1 .84659 1. 01806 2.23350 1 .85441 2160

2170 0. 94013 2.11307 I .83676 0. 97654 2. 16973 1 .84534 1. 01245 2.22494 1 .85322 2170

2180 0. 93475 2 .10463 1 . 83543 0. 97106 2. 16125 1 .84409 1. 00688 2.21642 1 .85204 2180

2190 0. 92940 2 .09624 1 .83410 0. 96562 2.15281 1 .84283 1. 00135 2.20794 1 .85085 2190

2200 0.92409 2 .08788 I .83277 0. 96022 2. 14442 1 .84157 0.99586 2.19951 1 .84965 2200

2210 0. 91882 2 .07957 1 .83143 0.95486 2. 13607 1 .84030 0. 99041 2.19113 1 .84845 2210

2220 0. 91359 2 .07131 1 . 83008 0. 94953 2. 12776 1 .83903 0. 98500 2. 18279 1 . 84725 2220

2230 0. 90839 2 .06309 1 . 82873 0. 94424 2. 11950 1 .83776 0. 97962 2. 17449 1 .84604 2230

2240 0. 90323 2.05491 1 .82738 0. 93899 2.11128 1 .83648 0. 97428 2.16623 1 .84483 2240

2250 0. 89811 2 .04677 1 . 82602 0.93377 2. 10310 1 .83519 0. 96898 2.15801 1 .84361 2250

2260 0. 89302 2 .03868 1 .82466 0. 92859 2.09497 1.83390 0. 96371 2. 14984 1 .84239 2260

2270 0. 88797 2 .03062 I .82329 0. 92345 2.08687 1 .83261 0. 95848 2.14171 1 .84116 2270

2280 0. 88295 2.02261 1 .82192 0. 91834 2.07882 1 .83131 0.95329 2. 13362 1 .83993 2280

2290 0.87797 2 .01464 1 .82054 0. 91327 2.07081 1 .83000 0. 94813 2.12557 1 .83870 2290

2300 0. 87303 2 .00671 1 .81916 0. 90823 2. 06284 1 .82869 0.94300 2. 11756 1 .83746 2300

2310 0. 86811 1 .99882 I .81777 0. 90323 2.05491 1 .82738 0. 93791 2. 10959 1 .83621 2310

2320 0. 86324 1 .99097 1 .81638 0. 89826 2. 04702 1 .82606 0.93286 2. 10166 1 .83496 2320

2330 0. 85839 1 .98316 1 .81498 0.89333 2.03916 1 .82474 0. 92784 2.09377 1 .83371 2330

2340 0. 85358 1 .97539 1 .81358 0. 88843 2.03135 1 .82341 0. 92285 2.08592 1 .83245 2340

2350 0. 84880 1 .96766 1 .81217 0.88356 2. 02358 1 .82208 0.91790 2.0781

I .83119 2350

2360 0. 84406 1 .95997 1 . 81076 0.87873 2. 01585 1 .82075 0. 91297 2.07034 1 .82993 2360

2370 0. 83935 1.95232 1 . 80934 0. 87392 2.00815 1 .81941 0. 90809 2.06260 1 .82866 2370

2380 0. 83467 1 .94470 1 . 80792 0. 86915 2. 00049 1 .81806 0. 90323 2.05491 1 .82738 2380

2390 0.83002 1 .93712 1 .80650 0.86442 1.99287 1 .81671 0. 89841 2.04725 1 .82610 2390

2400 0. 82540 1 .92958 1 . 80507 0. 85971 1.98529 1 .81536 0.89362 2.03963 1 .82482 2400

2410 0. 82082 1.92208 .80363 0. 85504 1.97774 1 .81400 0. 88886 2.03204 1 .82353 2410

2420 0. 81626 1 .91462 1x 0. 85039 1.81264 0. 88413 ?C- n?A.49 w ^ ^T y 1 .82224 2420

2430 0. 81174 1 .90719 \ • 80075 0. 84578 1 . 96276 1 .81127 0. 87943 2.01698 1 .82094 2430

2440 0. 80725 1 .89980 1 .79930 0. 84120 1.95533 1 .80990 0. 87477 2.00951 1 .81964 2440

2450 0. 80278 1 .89244 1L . 79785 0. 83665 I. . 7^1 7 J 1 .80853 0. 87013 7.00707 1 .81834 74S0

2460 0. 79835 1 .88512 \ . 79639 0.83213 1 • 94056 1 .80715 0. 86553 1 . 99466 1.81703 2460

2470 0. 79395 1 .87783 1 . 79493 0. 82764 1 . 93324 1 .80576 0. 86095 1 . 98729 1 .81572 2470

2480 0. 78958 1 .87059 1 . 79346 0. 82318 1 . 92594 1 .80437 0. 85641 1.97996 1 .81440 2480

2490 0. 78523 1 .86337 1 . 79199 0. 81874 1. 91868 1 .80298 0.85189 1.97266 1 .81308 2490

2500 0. 78092 1 .85619 1 .79052 0. 81434 1.91146 1 .80158 0. 84741 1.96540 1 .81176 2500

2510 0. 77663 1 .84905 1 .78904 0. 80997 1.90427 1 .80018 0. 84295 1.95817 1 .81043 2510

2520 0. 77237 1 .84194 1 .78756 0. 80562 1.89712 1 .79877 0. 83852 1.95097 1 .80909 2520

2530 0. 76814 1 .83486 1 .78607 0. 80130 1.89000 1 .79736 0. 83412 1.94381 1 .80776 2530

2540 0. 76394 1 .82782 1 .78457 0. 79701 1.88291 I .79595 0. 82975 1.93668 1 .80641 2540

2550 0. 75976 1 .82081 1 .78308 0. 79275 1.87585 1 .79453 0. 82540 1.92958 1 .80507 2550

2560 0. 75562 1 .81383 1 .78157 0.78852 1.86883 1 .79311 0. 82109 1.92252 1 .80372 2560

2570 0. 75150 1 .80689 1 .78007 0. 78431 1.86185 1 .79168 0. 81680 1.91549 1 .80236 2570

2580 0. 74740 1 .79998 1 .77856 0. 78013 1.85489 1 .79025 0. 81254 1.90850 1 .80101 2580

2590 0. 74334 1 .79310 1 .77704 0. 77598 1.84797 1 .78881 0. 80830 1.90153 1 .79964 2590

c°

p

1/ cm

209
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

V -(f°-eo)/t so CO -(fo-e°)/t s° eg -(f°-eo)/t S° cm

T=3200. T=3300. T=3400.

2600 0.73930 1 .78626 1 .77552 0. 77186 1 .84108 1 . 78737 0.80409 I .89460 1 .79828 2600

2610 0.73528 1 .77944 1 . 77400 0.76776 1 . 83422 \ .78593 0. 79991 I .88770 1.79691 P6 1 0

2620 0.73129 1 .77266 \ . 77247 0. 76368 1 . 82739 1 .78448 0.79576 I -• flR0a3 \J \J \y tj ^ 1 .79553 2620

2630 0.72733 1 .76591 1 .77094 0. 75964 1 .82060 1 .78303 0.79163 1 .87399 1 .79416 2630

2640 0.72340 1 .75920 1 .76941 0. 75562 1 .81383 1 .78157 0.78753 1 .86719 1 .79277 2640

2650 0.71949 1 .75251 1 .76787 0. 75162 1 . 80710 1 .78011 0. 78345 1 .86041 1.79139 2650

2660 0.71560 1 .74585 1 . 76632 0. 74765 \ . 80040 1 .77865 0 . 77940 1 .85367 1 .79000 2660

2670 0.71 174 1 .73923 1 . 76477 0. 74370 \ .79373 1 .77718 0. 77537 1 .84695 1 .78860 2670

2680 0.70790 1 .73263 1 .76322 0. 73978 1 .78708 1 .77571 0.77137 1 .84027 1 .78721 2680

2690 0.70409 1.72607 1 .76166 0. 73589 1 .78047 1 .77423 0.76740 1 .83361 1 .78580 2690

2700 0.70031 1 .71954 1 . 76010 0. 73202 1 . 77389 1 .77275 0. 76345 1 .82699 1 .78440 2700

2710 0. 69654 I .71303 1 . 75854 0. 72817 1 . 76734 1 .77127 0. 75952 1 .82040 1 .78299 2710

2720 0.69280 1 .70656 1 .75697 0.72435 1 . 76082 1 .76978 0.75562 1 .81383 1 .78157 2720

2730 0.68909 1 .70011 1 .75539 0. 72055 1 . 75433 1.76829 0.75174 1 .80730 1 .78016 2730

2740 0.68540 1 .69370 1 .75382 0. 71678 1 .74787 1 .76679 0.74788 1 .80079 1 . 77874 2740

2750 0.68173 1 .68731 1 .75223 0. 71302 I .74143 1 .76529 0.74405 I .79431 1 .77731 2750

2760 0.67808 1 .68095 . 75065 0. 70930 1 .73503 1 . 76379 0. 74024 1.78786 1 .77588 2760

2770 0. 67446 1 .67463 1 . 74906 0.70559 1 .72865 1 . 76228 0. 73646 1 .78144 1 .77445 2770

2780 0.67086 1 .66833 1 .74747 0. 70191 1 .72230 1 . 76076 0.73270 1.77505 1 .77301 2780

2790 0.66729 1 .66205 1 .74587 0. 69825 1 .71598 \ .75925 0.72896 1 .76869 1 .77157 2790

2800 0.66373 1 .65581 1 . 74427 0. 69461 1 .70969 1 .75773 0.72525 1 .76235 1 .77013 2800

2810 0.66020 1 .64959 \ . 74266 0. 69100 1 .70343 . 75620 0.72155 1 .75604 1 .76868 28 10

2820 0.65669 1 .64341 \ . 74105 0. 68741 1 .69719 1 . 75468 0.71788 1 .74976 1 .76723 2820

2830 0.65320 1 .63725 1 .73944 0. 68384 1 .69098 1 .75315 0.71424 1 .74351 1 .76578 2830

2840 0.64973 1 1 .73782 0.68029 1 .68480 \ . 75 161 0.71061 1 .73729 1 .76432 2840

2850 0.64629 1 .62501 1 . 73620 0. 67676 1.67865 1 .75007 0.70700 1 .73109 1 .76285 2850

2860 0.64287 1 .61893 1 . 73457 0. 67326 1 .67252 1 .74853 0. 70342 1 .72491 1 .76139 2860

2870 0.63946 1 .61288 \ .73294 0. 66978 1 .66642 1 .74698 0.69986 1 .71877 1 .75992 2870

2880 0.63608 1 .60685 1 .73131 0. 66631 1 .66035 1 .74543 0.69632 1 .71265 1 .75844 2880

2890 0.63272 1 .60086 1 .72967 0. 66287 1 .65430 1 .74388 0.69280 1 .70656 1 .75697 2890

2900 0.62938 1 .59488 \ . 72803 0. 65945 1 .64828 1 .74232 0.68931 1 .70049 1 .75549 2900

2910 0.67606 1 .58894 \ . 72639 0. 65605 1 .64228 1 .74076 0.68583 1 .69445 1 .75400 2910

2920 \J m U ^ ^ t 1 1 .58302 1X 77474 0. 65267 1 .63632 1 .73919 \J m w O J 1 1 .68844 1.75251 2920

2930 0.61949 1 .57712 1 .72309 0. 64932 1 .63037 1 .73762 0.67894 1 .68245 1 .75102 2930

2940 0.61623 1 .57126 1 .72143 0. 64598 1.62445 1 .73605 0.67552 1 .67648 1 .74953 2940

2950 0.61299 1 .56541 \ .71977 0. 64266 1 .61856 1 .73447 0.67213 1 .67055 1 .74803 2950

2960 0.60977 1 .55960 1X .71811 0. 63936 1 .61270 1 .73289 0-66876 1 .66463 1 .74653 2960

2970 1 .55381 1X .71 644 0. 63608 1 .60685 1 .73131 0.66540 1 .65874 1 .74502 2970

2980 1 .54804 1X . 71477 0. 63282 1 .60104 1 .72972 0.66207 1 .65288 1 .74351 2980

2990 0.60023 1 .54230 1 .71310 0. 62958 1 .59524 1 .72813 0.65875 1 .64704 1 .74200 2990

3000 0.59709 1 .53658 I .71142 0. 62636 1 .58948 1 .72654 0.65546 1 .64123 1 .74048 3000

3010 0.59397 1 .53089 1 .70974 0. 62316 1 .58373 1 .72494 0.65218 1 .63544 1 .73896 3010

3020 0.59087 1 .52522 1 .70805 0. 61998 1 .57802 1 .72334 0.64892 1 .62967 1 .73744 3020

3030 0.58778 1 .51958 1 .70637 0. 61682 1 .57232 1 .72173 0.64568 1 .62393 1 .73591 3030

3040 0.58471 1 .51396 1 .70467 0.61368 1 .56665 1 .72013 0.64246 1 .61822 1.73438 3040

3050 0.58167 1 .50836 I .70298 0. 61055 1 .56100 1 .71851 0.63926 1 .61252 1 .73285 3050

3060 0.57864 1 .50279 1 .70128 0. 60744 1 .55538 1 .71690 0.63608 1 .60685 1.73131 3060

3070 0.57563 1.49724 I .69958 0. 60435 1 .54978 1 .71528 0.63292 1.60121 1 .72977 3070

3080 0.57263 1 .49172 1 .69787 0. 60128 1 .54421 1 .71366 0.62977 1.59558 1 .72823 3080

3090 0.56966 1.48622 1 .69616 0. 59823 1 .53866 1 .71203 0.62665 1 .58999 1.72668 3090

c°

p cm

-1

210
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

V -(f°-e°)/t s° CO -(fo-e°)/t s° c° -(fo-e°)/t s° cm

'

T=3200. T=3300. T=3400.

3100 0. 56670 1 •48074 1 .69445 0. 59520 1. 53313 1. 71040 0. 62354 1. 58441 1.72513 3100

3110 0. 56376 1 .47528 1 .69273 0. 59218 1. 52762 1. 70877 0. 62045 1. 57886 1. 72358 3110

3120 0. 56084 1 .46985 1 .69101 0. 58918 1. 52214 1. 70713 0. 61738 1. 57332 1. 72202 3120

3130 0. 55793 1 .46444 1 .68929 0. 58620 1. 51668 1. 70549 0. 61432 1. 56782 1. 72046 3130

3140 0.55505 1 .45906 1 .68756 0.58324 1. 51124 1. 70385 0. 61128 1. 56233 1. 71889 3140

3150 0. 55218 1.45369 1 .68583 0. 58029 1. 50582 1. 70221 0. 60826 1. 55687 1. 71733 3150

3160 0. 54932 1 .44835 1 .68409 0. 57736 1. 50043 1. 70056 0. 60526 1. 55143 1. 71576 3160

3170 0. 54649 1 .44304 1 .68236 0.57445 1. 49506 1. 69890 0. 60227 1. 54601 1. 71418 3170

3180 0. 54367 1 .43774 1 .68062 0. 57155 1. 48971 1. 69725 0. 59931 1. 54061 1. 71261 3180

3190 0. 54086 1 .43247 1 .67887 0. 56867 1. 48439 1. 69559 0. 59635 1. 53524 1. 71103 3190

c°

p V

-1 cm

3200 0. 53808 1 .42721 1 .67713 0.56581 1. 47908 1 .69393 0.59342 1. 52988 1.70944 3200

3210 0. 53531 1 .42198 1 .67538 0.56296 1. 47380 1 .69226 0.59050 1. 52455 1.70786 3210

3220 0. 53255 1 .41678 1 .67362 0.56013 1. 46854 1 .69059 0.58760 1. 51924 1.70627 3220

3230 0. 52981 1 .41159 1 .67186 0.55732 1. 46330 1 .68892 0.58471 1. 51396 1.70467 3230

3240 0. 52709 1 .40642 1 .67010 0.55452 1. 45808 1 .68724 0.58185 1. 50869 1.70308 3240

3250 0. 52439 1 .40128 1 .66834 0.55174 1. 45288 I. 68557 0. 57899 1.50344 1.70148 3250

3260 0. 52170 1 .39616 1 .66657 0.54898 1. 44771 1. 68388 0. 57616 1.49822 1.69988 3260

3270 0. 51902 1 .39106 1 .66480 0.54623 1. 44255 1. 68220 0. 57334 1.49301 1.69827 3270

3280 0. 51636 1 .38597 1 .66303 0.54350 1. 43742 1. 68051 0. 57053 1.48783 1.69666 3280

3290 0. 51372 1 .38091 1 .66126 0.54078 1. 43231 1. 67882 0. 56774 1.48267 1.69505 3290

3300 0.51109 1. 37588 1 .65948 0.53808 1. 42721 1 .67713 0. 56497 1 .47753 1 .69344 3300

3310 0.50848 1. 37086 1 .65769 0.53539 1. 42214 1 .67543 0. 56221 1 .47241 1 .69182 3310

3320 0.50588 1. 36586 1 .65591 0.53272 1. 41709 1 .67373 0. 55947 1 .46730 1 .69020 3320

3330 0.50330 1. 36088 1 .65412 0.53006 1. 41206 1 .67202 0. 55674 1 .46222 1 .68857 3330

3340 0.50073 1. 35592 1 .65233 0.52742 1. 40705 1 .67032 0. 55403 1 .45716 1 .68695 3340

3350 0. 49818 1 .35099 1. 65053 0. 52480 1. 40206 1. 66861 0. 55134 1 .45212 1.68532 3350

3360 0. 49564 1 .34607 1. 64874 0. 52218 1. 39709 1. 66690 0. 54865 1 .44710 1.68369 3360

3370 0. 49311 1 .34117 1. 64693 0. 51959 1. 39214 1. 66518 0. 54599 1 .44210 1.68205 3370

3380 0. 49060 1 .33630 1. 64513 0. 51701 1. 38720 1. 66346 0. 54334 1 .43712 1.68041 3380

3390 0. 48811 1 .33144 1. 64332 0. 51444 1. 38229 1. 66174 0. 54070 1 .43216 1.67877 3390

3400 0 .48563 1 .32660 1 .64151 0.51189 1. 37740 1. 66002 0.53808 1.42721 1 .67713 3400

3410 0 .48316 1 .32178 1 .63970 0.50935 1. 37253 1. 65829 0.53547 1.42229 1 .67548 3410

3420 0 .48071 1 .31698 1 .63789 0.50682 1. 36767 1. 65656 0.53288 1.41739 1 .67383 3420

3430 0 .47827 1 .31220 1 .63607 0.50431 1. 36284 1. 65482 0.53030 1.41250 1 .67217 3430

3440 0 .47585 1 .30744 1 .63425 0.50182 1. 35803 1. 65309 0.52773 1.40764 1 .67052 3440

3450 0. 47344 1. 30270 1. 63242 0.49933 1. 35323 1 .65135 0. 52518 1 .40279 1.66886 3450

3460 0. 47104 1. 29798 1. 63060 0.49687 1. 34845 1 .64961 0. 52264 1 .39796 1.66720 3460

3470 0. 46866 1. 29328 1. 62877 0.49441 1. 34369 1 .64786 0. 52012 1 .39315 1.66553 3470

3480 0. 46629 1. 28859 1. 62693 0.49197 1. 33895 1 .64612 0. 51761 1 .38836 1.66387 3480

3490 0. 46393 1. 28393 1. 62510 0.48954 1. 33423 1 .64436 0. 51512 1 .38359 1.66220 3490

3500 0. 46159 1. 27928 1 .62326 0.48713 1. 32953 1.64261 0.51263 1. 37884 1 .66052 3500

3510 0. 45926 1. 27465 1 .62142 0.48473 1. 32485 1.64086 0.51017 1. 37410 1 .65885 3510

3520 0. 45694 1. 27004 1 .61957 0.48234 1. 32018 1.63910 0.50771 1. 36939 1 .65717 3520

3530 0. 45464 1. 26545 1 .61773 0.47997 1. 31553 1.63734 0.50527 1. 36469 1 .65549 3530

3540 0. 45235 1. 26088 1 .61588 0.47761 1. 31090 1.63557 0.50284 1. 36001 1 .65380 3540

3550 0. 45007 1 .25632 1 .61403 0.47526 1.30629 1. 63381 0. 50043 1. 35534 1 .65212 3550

3560 0. 44781 1 .25178 1 .61217 0.47293 1.30170 1. 63204 0. 49803 1. 35070 1 .65043 3560

3570 0. 44555 1 .24726 1 .61032 0.47061 1.29712 1. 63026 0. 49564 1. 34607 1 .64874 3570

3580 0. 44332 1 .24276 1 .60846 0.46830 1.29257 1. 62849 0. 49326 1. 34146 1 .64704 3580

3590 0. 44109 1 .23828 1 .60659 0,46600 1.28803 1. 62671 0. 49090 1. 33687 1 .64534 3590

211
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

V

_1 cm

-(f°-E°) /T

T =3200.

G°

P

-(f°-e°)/t

T=

S°

3300.

cs

P -(F°-es^/t

T=

S°

3400.

C°

P

7/

1/ cm

3600 0. 43887 1 .23381 1. 60473 0.46372 1. 28350 1. 62493 0. 48855 1. 33229 1 .64364 3600

3610 0. 43667 1 .22936 1. 60286 0.46145 1. 27900 1. 62315 0. 48621 1. 32774 1 .64194 3610

3620 0. 43448 1 .22493 1. 60099 0.45919 1. 27451 1. 62136 0. 48389 1. 32320 1 .64024 3620

3630 0. 43230 1 .22052 1. 59912 0.45694 1. 27004 1. 61957 0. 48157 1. 31868 1 .63853 3630

3640 0. 43014 1 .21612 1. 59724 0.45471 1. 26559 1. 61778 0. 47927 1. 31417 1 .63682 3640

3650 0. 42799 1 .21174 1. 59536 0.45249 1. 26115 1. 61599 0. 47699 1. 30968 1 .63510 3650

3660 0. 42584 1.20738 1. 59348 0.45028 1. 25673 1. 61420 0. 47471 1. 30521 1 .63339 3660

3670 0. 42372 1 .20303 1. 59160 0.44808 1. 25233 1. 61240 0. 47245 1. 30076 1 .63167 3670

3680 0. 42160 1 . 19870 1. 58971 0.44589 1. 24795 1. 61060 0. 47020 1. 29632 1 .62995 3680

3690 0. 41949 1 . 19439 1. 58783 0.44372 1. 24358 1. 60879 0. 46796 1. 29190 1 .62823 3690

3700 0. 41740 1. 19010 1. 58594 0.44156 1. 23923 1. 60699 0.46573 1 .28749 1.62650 3700

3710 0. 41532 1. 18582 1. 58404 0.43941 1. 23489 1. 60518 0.46352 1 .28311 1.62477 3710

3720 0. 41324 1. 18156 1. 58215 0.43727 1. 23057 1. 60337 0.46131 1 .27873 1.62304 3720

3730 0. 41118 1. 17731 1. 58025 0.43514 1. 22627 1. 60156 0.45912 1 .27438 1.62131 3730

3740 0. 40914 1. 17309 1. 57835 0.43303 1. 22199 1. 59974 0.45694 1 .27004 1.61957 3740

3750 0 .40710 1 . 16887 1 .57645 0.43093 1 .21772 1 .59792 0. 45477 1 .26572 1 .61784 3750

3760 0 .40507 1 . 16468 1 .57454 0.42883 1 .21346 1 .59610 0. 45262 1 .26141 1 .61610 3760

3770 0 .40306 1 .16050 1 .57264 0.42675 1 .20923 1 .59428 0. 45047 1 .25712 1 .61435 3770

3780 0 .40106 1 .15634 1 .57073 0.42468 1 .20501 1 .59246 0. 44834 1 .25285 1.61261 3780

3790 0 .39906 1 .15219 1 .56882 0.42262 1 .20080 1 .59063 0. 44622 1 .24859 1 .61086 3790

3800 0 .39708 1 . 14806 1 . 56690 0.42058 1 . 19661 1 .58880 0. 44410 1 .24435 1 .60911 3800

3810 0 .39511 1 .14394 1 .56499 0.41854 1 .19244 1 .58697 0. 44200 1 .24012 1 .60736 3810

3820 0 .39315 1 .13984 1 .56307 0.41651 1 .18828 1 .58513 0. 43991 1 .23591 1 .60561 3820

3830 0.39120 1 .13576 1 .56115 0.41450 1 . 18414 1 .58330 0. 43784 1 .23172 1 .60385 3830

3840 0 .38926 1 .13169 1 .55922 0.41249 1. 18001 1.58146 0. 43577 1 .22754 1 .60209 3840

3850 0 .38733 1 .12764 1 .55730 0.41050 1 . 17590 1 .57962 0. 43371 1 -22337 1 .60033 3850

3860 0 .38542 1 .12360 1 .55537 0.40852 1 . 17181 1 .57777 0. 43167 1 .21922 1 .59856 3860

3870 0 .38351 1 .11958 1 .55344 0.40655 1 . 16773 1 .57593 0. 42963 1 .21509 1 .59680 3870

3880 0 .38161 1 .11557 I .55151 0.40458 1 . 16366 1 .57408 0.42761 1 .21097 I .59503 3880

3890 0.37973 1 .11158 1 .54958 0.40263 1 .15961 1 .57223 0. 42559 1 .20687 1 .59326 3890

3900 0 .37785 1 . 10760 1 .54764 0.40069 1 . 15558 1 .57038 0. 42359 1 .20278 1 .59149 3900

3910 0 .37598 1 .10364 1 .54571 0.39876 1 . 15156 1 .56853 0. 42160 1 .19870 1 .58971 3910

3920 0 .37413 1 .09970 1 .54377 0.39684 1 .14756 1 .56667 0. 41962 1 .19465 1 .58794 3920

3930 0 .37228 1 .09577 1 .54182 0.39493 1 . 14357 I .56481 0. 41764 1 .19060 1 .58616 3930

3940 0 .37045 1 .09185 1 .53988 0.39303 1 . 13959 1 .56295 0. 41568 1 .18657 1 .58438 3940

3950 0 .36862 1 .08795 1 .53793 0.39114 I . 13563 1.56109 0. 41373 1 . 18256 1 .58259 3950

3960 0 .36680 1.08406 1 .53599 0.38926 1 .13169 1 .55922 0. 41179 1 .17856 1 .58081 3960

3970 0 .36500 1 .08019 1 .53404 0.38739 1 .12776 1 .55736 0. 40986 1 . 17458 1 .57902 3970

3980 0 .36320 1 .07634 1 .53209 0.38553 1 . 12384 1 .55549 0.40794 1 .17061 1 .57723 3980

3990 0 .36141 1 .07249 1 .53013 0.38368 1 .11994 1 .55362 0. 40603 1 . 16665 1 .57544 3990

4000 0 .35964 1 .06867 1 .52818 0.38184 1 .11606 1 .55175 0.40412 1 .16271 1 .57365 4000

212
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

V -(F°-Eg)/T 3° 0° -(F°-E°)/T S° C° -(F°-E°)/t 3°

cm

T=3500. T=3600. T=3700.

1X\J\J nn O • ^ o ^ O J

ao . J t.7Q44 7 ^ ^ X1 . 7 o a o~ 6. 43769 8. S4 1 1X . 98691 6. 49 107 8. 43985 1X . 98692 100

1 1 n f\yj « 1 Q 74Q ao . 1 4(1(17 1X . 7 O U O J 6. 25223 8. 19604 1X . 98685 6. 3055

8.25048 \ .98687 110 XXV/

l.C.\J 1 7C\ A 1 O U ^ 7 96720 1X . 98677 6. 08327 8. 02317 .98679 6. 13644 8. 07760 I .98681 120

5 , 87363 7 , 808 1

1X .98670 5. 92815 7. 86414 1 . 98672 5. 98121 7. 91858 I .98675 130

140 5. 73041 7. 66095 1 .98662 5. 78482 7. 71691 1 .98665 5. 83778 7 , 77134 I .98668 140

-J • J 7 t J J 7 . J C. J G ^ 1X . 7 O U ^ 5.65165 7. 57985 1X . 98657 5, 70450 7 , 63428 I . 98661 1 50

J. o ^

c; ^ f J X 7 J 7 J o o

1X . <)fl 7 O A4S O ^ 5 , 52733 7. 45164 1X . 98649 5. 58008 7 , 50607 1X . 98653 160

1 70 J J ATO 1 1 L 7 ^ f ^ £

1X . 7 O O J/ O 5, 41079 7. 33121 1X QA A4

. 7 CJ X 5. 46343 7. 38564 1X . 7 O U ^ 1 70

1LOWnn 7 1 A 1 7? 1X . 7 O O c. O 5. 30113 7. 21768 IX . 7 O U J X 5. 35367 7. 27210 1X . 98636 1 80

190 5. 14376 7. 05433 1 .98616 5. 19761 7. 11028 1 .98622 5. 25004 7 1X A47 t> ^ 1 1 X 1 .98627 190

s OAU*T ^-/ Ko Ao O • 7 J t *T O

11 . qo7 O AOS O V J 5. 09960 7. 00841 1X . 7 O Q X X 5. 15193 7 , U £. O J X . 7 O O X 1 7 1 fl AH • AO • O J 3 J O

1

J. . 70 -? 7H 5, 00656 6.91151 1x . oQ7 O Ann O U V/ 5. 05879 h\j .. 7 U J 7 C. 1X . 7 O O V 1 7^ n

^ £.\j At • AC; 1 Ao • 7 A 1 n 11 g a E o o. 7 O 17 o ^ 4, 91803 6. 81912 11 . go7 Roq O -? O 7 4. 97015 6. 87353 1X . 7 O J 7 O 77n

At » t o v> ^ \J o « A74q 1 1

1. . 7 O -J O 7 4. 83361 6. 73085 1X 4. 88563 6. 78526 1X . 7 O J O J 240 4. 69965 6. 59040 1 .98556 4. 75295 6. 64634 1 .98565 4. 80486 Au • 70074 1 .98573 240

250 4, 62254 6 . 50935 1X . 98542 4. 67573 6. 56528 \ . 98552 4. 72754 6. 61968 \ .98561 250

260 4, 54862 6. 43148 1 . 98528 4. 60170 6. 48741 .98538 4.65340 6. 54 18I . 98548 260

270 4, 47763 6. 35656 \ . 98513 4. 53060 6. 41248 .98524 4. 58220 6. 46688 1 .98535 270

280 4, 40937 6 . 28437 \ . 98498 4. 46223 6. 34029 1 .98510 4. 51373 6. 39468 1 .98521 280

290 4. 34364 6. 21471 1 .98482 4. 39640 6. 27063 1 .98495 4. 44779 6. 32502 1 .98507 290

300 4, 28028 6. 14743 1 . 98465 4. 33292 6. 20334 1 .98479 4. 38421 6. 25772 1 .98492 300

310 4. 21912 6. 08236 1 . 98448 4. 27165 6. 13326 1 .98463 4. 32284 6. 19264 1 .98477 310

320 4. 16002 6. 01935 1 . 98431 4. 21245 6. 07526 1 .98446 4. 26353 6. 12963 1 .98461 320

330 4. 10287 5. 95830 1 .98413 4. 15519 6. 01419 1 .98429 4. 20617 6. 06856 1 .98444 330

340 4. 04754 5. 89907 1 .98394 4. 09975 5. 95496 1 .98412 4. 15063 6. 00932 1 .98428 340

350 3. 99392 5. 84156 1 .98375 4. 04602 5. 89745 1 .98393 4. 09680 5. 95181 1 .98411 350

360 3. 94192 5. 78568 1 .98355 3. 99392 5. 84156 1 .98375 4. 04459 5. 89591 1 .98393 360

370 3. 89146 5. 73133 1 .98334 3. 94335 5, 7872 1 1 .98355 3. 99392 5. 84156 1.98375 370

380 3. 84245 5. 67844 1 .98313 3. 89423 5. 73431 1.98335 3. 94470 5. 78866 1 .98356 380

390 3. 79481 5. 62693 1 .98292 3. 84648 5. 68280 1 .98315 3. 89685 5. 73714 1.98337 390

400 3. 74847 5. 57673 1 .98270 3. 80003 5. 63259 1 .98294 3. 85030 5. 68693 1.98317 400

410 3. 70337 5. 52778 1 .98247 3.75483 5. 58363 1.98273 3. 80499 5. 63796 1 .98297 41 n 420 3.65945 5.48001 1 .98224 3. 71080 5. 53585 1 .98251 3. 76087 5. 59018 1 .98276 420

430 3.61666 5. 43337 1 .98200 3. 66790 5. 48921 1 .98229 3. 71787 5. 54352 1 .98255 4^0

440 3. 57494 5. 38781 1.98176 3. 62608 5. 44364 1 .98206 3. 67594 5.49795 1.98233 440

450 3. 53424 5. 34327 1 .98151 3. 58527 5. 39910 1 .98182 3. 63503 5. 45340 1 .98211 450

460 3. 49452 5. 29972 1 .98126 3. 54545 5. 35554 1 .98158 3. 59510 5. 40984 1 .98188 460

470 3. 45574 5. 25712 1 .98100 3. 50656 5. 31293 1 .98134 3. 55612 5. 36722 1 .98165 470

480 3. 41786 5. 21541 1 .98073 3.46857 5. 27122 1.98109 3. 51802 5. 32550 1 .98141 460

490 3. 38083 5. 17458 1.98046 3. 43144 5. 23037 1 .98083 3. 48079 5. 28465 1 .98117 490 ~ 7 ^

500 3. 34463 5. 13457 1 .98019 3. 39513 5. 19036 1 .98057 3. 44439 5. 24463 1 .98092 500

510 3. 30922 5. 09536 1 .97991 3.35962 5. 15114 1 .98030 3. 40877 5. 20540 1 .98067 510

520 3. 27458 5. 05691 1 .97962 3. 32486 5. 11269 1 .98003 3. 37392 5. 16694 1 .98041 520

530 3. 24066 5. 01921 1 .97933 3. 29084 5. 07497 1 .97976 3. 33980 5. 12922 1 .98015 530

540 3. 20745 4. 98221 1 .97903 3. 25753 5. 03797 1 .97947 3. 30639 5. 09221 1 .97988 540

550 3. 17492 4. 94590 1 .97873 3. 22489 5. 00165 1 .97919 3. 27365 5. 05589 1 .97961 550

560 3. 14304 4. 91025 1 .97842 3. 19291 4. 96599 1 .97890 3. 24157 5. 02022 1 .97934 560

570 3- 11180 4. 87524 1 .97810 3. 16156 4. 93097 1 .97860 3. 21012 4. 98519 1 .97905 570

580 3. 08116 4. 84084 1 .97778 3. 13082 4. 89656 1 .97830 3. 17928 4. 95077 1 .97877 580

590 3.05111 4. 80703 1 .97746 3. 10067 4. 86275 1 .97799 3. 14903 4. 91695 1 .97848 590

c°

p

V

-1 cm

213
V

cm

-1

Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

-(F°-Eo)/T SO CO

P

(fo-e°)/t so no (fo-eo)/t s° CO

p cm

-1

T= 3500. T= 3600. T= 3700.

600 3, 02163 4. 77380 1 .97713 3. 07108 4. 82950 1 .97767 3, 1 1934 4, 88370 1.97818 600

610 2. 99270 4. 74112 1 .97679 3. 04205 4. 79682 1 .97736 3. 09021 4. 85100 1.97788 610

620 2. 96430 4.70898 1 .97645 3. 01354 4. 76467 1 .97703 3. 06161 4. 81884 1.97757 620

630 2. 93642 4. 67736 1 .97610 2. 98555 4. 73304 1 .97670 3. 03352 4. 78720 1.97726 630

640 2. 90903 4. 64624 1 .97575 2. 95806 4. 70191 1 .97637 3. 00593 4. 75607 1.97694 640

650 2. 88212 4. 61561 1 .97539 2. 93105 4. 67127 1 .97603 2. 97882 If, 72542 1 .97662 650

660 2. 85569 4. 58546 1 .97502 2. 90451 4.64110 1 .97569 2. 95218 4. 69524 1.97630 660

670 2. 82970 4. 55576 1 .97466 2. 87842 4. 61140 1.97534 2. 92600 4. 66553 1.97597 670

680 2. 80416 4. 52651 1 .97428 2. 85278 4. 58213 1 .97498 2. 90025 4. 63625 1.97563 680

690 2. 77904 4. 49769 1 .97390 2. 82756 4. 55330 1 .97462 2. 87493 4. 60742 1.97529 690

700 2. 75434 4. 46929 1 .97351 2. 80275 4. 52489 1 .97426 85003 4. 57900 X . 7 1 ^ 7 ^ 700

710 2. 73004 4. 44130 1.97312 2. 77835 4. 49689 1 .97389 2. 82553 4. 55098 1.97459 710

720 2. 70613 4. 41370 1 .97273 2. 75434 4. 46929 1 .97351 2. 80142 4. 52337 1.97424 720

730 2.68260 4. 38650 1 .97232 2. 73071 4. 44207 1 .97313 2. 77769 4. 49614 1.97388 730

740 2. 65944 4. 35966 1 .97192 2.70745 4. 41523 1 .97275 2. 75434 4. 46929 1.97351 740

750 2. 63665 4. 33320 1 .97150 2. 68455 4. 38875 1 .97236 2 . 73134 4.44280 1.97314 7'50

760 2. 61420 4. 30709 1 .97108 2.66200 4.36263 1 .97196 2. 70870 4.41667 1.97277 760

770 2. 59209 4.28132 1 .97066 2. 63979 4. 33685 1 .97156 2. 68639 4. 39088 1.97239 770

780 2. 57032 4. 25590 1 .97023 2.61792 4. 31141 1 .97115 2. 66442 4. 36543 1.97200 780

790 2. 54887 4. 23080 1 .96980 2. 59637 4. 28631 1 .97074 2. 64277 4. 34031 1.97162 790

800 2. 52774 4. 20603 1 .96936 2. 57513 4. 26152 1 .97033 2. 62144 4. 31552 1.97122 800

810 2. 50691 4. 18157 1 .96891 2. 55420 4. 23705 1 .96991 2. 60042 4. 29103 1.97082 810

820 2. 48639 4. 15741 1 .96846 2. 53358 4. 21288 1 .96948 2. 57970 4. 26685 1.97042 820

830 2.46615 4. 13355 1 .96800 2. 51324 4. 18901 1 .96905 2. 55927 4. 24297 1.97001 830

840 2. 44621 4. 10999 1 .96754 2. 49319 4. 16543 1 .96861 2. 53912 4. 21938 1.96959 840

850 2. 42654 4. 08670 1 .96707 2. 47343 4. 14213 1 .96817 2. 51926 4. 19607 1.96918 850

860 2. 40714 4.06370 1 .96660 2. 45393 4. 11912 1 .96772 2. 49967 4. 17304 1.96875 860

870 2. 38801 4.04097 1.96612 2. 43470 4. 09637 1 .96727 2.48034 4. 15029 1.96832 870

880 2. 36914 4. 01850 1 .96564 2. 41573 4. 07389 I .96681 2.46127 4. 12779 1.96789 880

890 2. 35052 3. 99629 1 .96515 2. 39701 4.05167 1.96635 2.44246 4. 10556 1.96745 890

900 2. 33215 3. 97434 1 .96466 2. 37854 4. 02970 1.96588 2. 42390 4. 08358 1.96701 900

910 2. 31403 3. 95263 1 .96416 2. 36032 4. 00798 1 .96541 2. 40558 4. 06185 1.96656 910

920 2. 29614 3. 93117 1 .96365 2. 34233 3. 98650 1 .96493 2. 38750 4. 04036 1.96611 920

930 2. 27848 3. 90994 1 .96314 2. 32457 3. 96526 1 .96445 2. 36965 4. 01910 1.96565 930

940 2. 26105 3. 88895 1 .96263 2. 30704 3. 94425 1 .96396 2. 35202 3. 99808 1.96519 940

950 2. 24384 3. 86818 1 .96211 2. 28974 3. 92347 1 .96347 2. 33462 3. 97729 1 .96472 950

960 2. 22685 3. 84764 1 .96158 2. 27265 3. 90292 1 .96297 2. 31744 3. 95672 1.96425 960

970 2. 21008 3. 82731 1 .96105 2. 25577 3. 88258 1 .96247 2. 30047 3. 93636 1.96378 970

980 2. 19351 3. 80720 1 .96051 2. 23910 3. 86245 1 .96196 2. 28371 3. 91623 1.96329 980

990 2.17714 3. 78730 1 .95997 2. 22264 3. 84254 1 .96145 2. 26715 3. 89630 1.96281 990

1000 2. 16098 3. 76761 1 .95942 2. 20638 3. 82283 1.96093 2. 25079 3. 87657 1.96232 1000

1010 2. 14501 3. 74811 1 .95887 2. 19031 3. 80332 1 .96041 2. 23463 3. 85705 1.96182 1010

1020 2. 12923 3. 72881 1 .95831 2. 17443 3. 78400 1 .95988 2. 21867 3. 83772 1.96132 1020

1030 2. 11364 3. 70971 1 .95775 2. 15875 3. 76489 1 .95934 2. 20289 3. 81859 1.96082 1030

1040 2.09824 3. 69080 1 .95718 2. 14325 3. 74596 1 .95881 2. 18729 3. 79965 1.96031 1040

1050 2. 08302 3. 67207 1 .95660 2. 12793 3. 72722 1 .95826 2. 17188 3. 78089 1.95979 1050

1060 2. 06797 3. 65353 1 .95602 2. 11278 3. 70866 1 .95771 2. 15664 3. 76232 1.95927 1060

1070 2. 05310 3. 63517 1 .95544 2. 09781 3. 69028 1 .95716 2. 14158 3. 74392 1.95875 1070

1080 2.03840 3. 61698 1 .95485 2.08302 3. 67207 1 .95660 2. 12669 3. 72570 1.95822 1080

1090 2. 02386 3. 59896 1.95425 2. 06839 3. 65404 1.95604 2. 11197 3. 70766 1.95768 1090

214
cm

-1

Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

(F°-Eo)/T S° CO

P

-(F0-E°)/T CO

P -(FO-Eo)/t SO CO

P

V

-1 cm

T=3500. T=3600. T=3700.

1100 2.00950 3.58112 1.95365 2.05392 3.63618 1.95547 2.09741 3.68978 1.95715 1100

1110 1.99529 3.56344 1.95305 2.03962 3.61849 1.95490 2.08302 3.67207 1.95660 1110

1120 1.98124 3.54593 1.95243 2.02547 3.60096 1.95432 2.06878 3.65453 1.95605 1120

1130 1.96735 3.52858 1.95182 2.01148 3.58359 1.95374 2.05470 3.63714 1.95550 1130

1140 1.95361 3.51138 1.95120 1.99765 3.56638 1.95315 2.04077 3.61992 1.95494 1140

1150 1.94002 3.49434 1.95057 1.98396 3.54932 1.95255 2.02699 3.60284 1.95438 1150

1160 1.92657 3.47746 1.94994 1.97042 3.53242 1.95196 2.01336 3.58592 1.95381 1160

1170 1.91328 3.46072 1.94930 1.95703 3.51567 1.95135 1.99988 3.56916 1.95324 1170

1180 1.90012 3.44414 1.94866 1.94378 3.49906 1.95074 1.98654 3.55254 1.95267 1180

1190 1.88711 3.42769 1.94801 1.93067 3.48260 1.95013 1.97334 3.53606 1.95209 1190

1200

1210

1220

1230

1240

1.87423

1.86149

1.84888

1.83640

1.82405

3.41139

3.39524

3.37922

3.36333

3.34758

1.94736

1.94670

1.94604

1.94537

1.94469

1.91769

1.90486

1.89215

1.87958

1.86713

3.46628

3.45011

3.43407

3.41817

3.40240

1.94951

1.94889

1.94826

1.94763

1.94699

1.96027

1.94734

1.93455

1.92189

1.90935

3.51973

3.50353

3.48748

3.47156

3.45578

1.95150

1.95091

1.95031

1.94971

1.94911

1200

1210

1220

1230

1240

1250

1260

1270

1280

1290

1.81182

1.79972

1.78775

1.77589

1.76415

3.33197

3.31648

3.30112

3.28589

3.27078

1.94402

1.94333

1.94264

1.94195

1.94125

1.85481

1.84262

1.83055

1.81860

1.80677

3.38676

3.37126

3.35588

3.34063

3.32550

1.94635

1.94570

1.94505

1.94439

1.94373

1.89694

1.88466

1.87250

1.86046

1.84854

3.44012

3.42460

3.40920

3.39393

3.37879

1.94850

1.94789

1.94727

1.94665

1.94602

1250

1260

1270

1280

1290

1300

1310

1320

1330

1340

1.75253

1.74103

1.72963

1.71835

1.70718

3.25579

3.24092

3.22617

3.21154

3.19702

1.94054

1.93983

1.93912

1.93840

1.93767

1.79505

1.78345

1.77197

1.76059

1.74932

3.31049

3.29560

3.28084

3.26618

3.25165

1.94306

1.94239

1.94172

1.94103

1.94035

1.83673

1.82504

1.81347

1.80200

1.79065

3.36376

3.34886

3.33407

3.31940

3.30484

1.94539

1.94475

1.94411

1.94346

1.94281

1300

1310

1320

1330

1340

1350

1360

1370

1380

1390

1.69611

1.68515

1.67430

1.66355

1.65290

3.18262

3.16833

3.15414

3.14007

3.12610

1.93694

1.93621

1.93547

1.93472

1.93397

1.73817

1.72712

1.71617

1.70533

1.69458

3.23722

3.22291

3.20871

3.19461

3. 18063

1.93966

1.93896

1.93826

1.93755

1.93684

1.77940

1.76826

1.75723

1.74630

1.73547

3.29040

3.27607

3.26185

3.24774

3.23373

1.94215

1.94149

1.94083

1.94016

1.93949

1350

1360

1370

1380

1390

1400

1410

1420

1430

1440

1.64235

1.63190

1.62155

1.61129

1.60113

3.11224

3.09849

3.08483

3.07128

3.05783

1.93322

1.93246

1.93169

1.93092

1.93014

1.68394

1.67340

1.66296

1.65261

1.64235

3.16675

3.15297

3.13929

3.12572

3.11224

1.93613

1.93541

1.93468

1.93395

1.93322

1.72474

1.71411

1.70358

1.69314

1.68280

3.21983

3.20603

3. 19234

3.17875

3.16525

1.93881

1.93813

1.93744

1.93675

1.93605

1400

1410

1420

1430

1440

1450

1460

1470

1480

1490

1.59106

1.58108

1.57119

1.56140

1.55169

3.04447

3.03121

3.01805

3.00499

2.99201

1.92936

1.92858

1.92779

1.92699

1.92619

1.63219

1.62212

1.61214

1.60225

1.59245

3.09887

3.08559

3.07241

3.05932

3.04632

1.93248

1.93173

1.93098

1.93023

1.92947

1.67255

1.66239

1.65233

1.64235

1.63246

3.15186

3. 13856

3.12535

3.11224

3.09923

1.93535

1.93464

1.93393

1.93322

1.93250

1450

1460

1470

1480

1490

1500

1510

1520

1530

1540

1550

1560

1570

1580

1590

1.54206

1.53253

1.52307

1.51370

1.50441

1.49521

1.48608

1.47703

1.46606

1.45917

2.97913

2.96634

2.95364

2.94103

2.92850

2.91606

2.90371

2.89144

2.87926

2.86715

1.92538

1.92457

1.92376

1.92294

1.92211

1.92128

1.92044

1.91960

1.91876

1.91791

1.58274

1.57311

1.56357

1.55411

1.54473

1.53543

1.52621

1.51708

1.50802

1.49903

3.03342

3.02060

3.00788

2.99525

2.98270

2.97024

2.95786

2.94557

2.93336

2.92124

1.92871

1.92794

1.92717

1.92639

1.92561

1.92482

1.92403

1.92323

1.92243

1.92163

1.62266

1.61295

1.60332

1.59377

1.58431

1.57493

1.56562

1.55640

1.54725

1.53819

3.08630

3.07347

3.06073

3.04807

3.03550

3.02302

3.01062

2.99831

2.98608

2.97393

1.93177

1.93104

1.93031

1.92957

1.92883

1.92809

1.92734

1.92658

1.92582

1.92506

1500

1510

1520

1530

1540

1550

1560

1570

1580

1590

215
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

V -(fo-eo)/t s° c° -(f°-e°)/t s° eg -(f°-eo)/t s° ^

U P

U

CIZL

T= 3500. T= 3600. j= 3700.

1600 1 .45035 2. 85513 1.91705 1 .49013 2. 90919 1.92082 1.52919 2. 96187 1.92429 1600

1610 1 .44161 2. 84319 1 .91619 1 .48129 2. 89723 1 . 92000 1 .52028 2. 94988 1.92351 1610

1620 1 .43294 2. 83133 1 .91533 1 .47254 2. 88534 1.91918 1.51143 2, 93797 1 . 92274 1620

1630 1 .42434 2. 81954 1 .91446 I .46385 2. 87353 1.91836 1.50267 2. 92614 1.92195 1630

1640 1.41582 2. 80784 1 .91358 I .45524 2. 86180 1. 91753 1. 49397 2, 91439 1.921 17 1640

1650 1 .40737 2. 79621 1 .91270 1 .44670 2. 85015 1.91670 1.48534 2. 90271 1.92038 1650

1660 1 .39899 2. 78465 1 .91182 1 .43823 2. 83857 1.91586 1.47679 2. 89111 1.91958 1660

1670 1 . 39067 2. 77317 1 .91093 1 .42983 2. 82706 1.91501 1.46830 2. 87959 1.91878 1670

1680 1 .38243 2. 76177 1 .91003 1 .42149 2. 81563 1.91417 1.45989 2. 86813 1.91798 1680

1690 1 .37425 2. 75043 1 .90914 1 .41323 2. 80428 1.91331 1.45154 2. 85675 1.91717 1690

1700 1 .36614 2. 73917 1 .90823 1 .40503 2. 79299 1.91246 1.44326 2. 84544 1.91636 1700

1710 1 . 358 10 2. 72798 1 .90732 1 .39690 2. 78178 1.91160 1.43504 2. 83421 1.91554 1710

1720 1 .35012 2. 71687 1 .90641 1 .38883 2. 77063 1.91073 1.42689 2. 82304 1.91472 1720

1730 1 .34221 2.70582 1 .90549 1 .38083 2. 75956 1.90986 1.41881 2. 81194 1.91389 1730

1740 1 .33435 2. 69484 1 .90457 1 .37290 2. 74855 1. 90899 1.41079 2. 80091 1.91306 1740

1750 1 .32657 2.68392 1 .90364 1 .36502 2. 73762 1.90811 1.40283 2. 78995 1.91223 1750

1760 I .31884 2. 67308 1 .90271 I .35721 2. 72675 1.90722 1. 39493 2. 77906 1.91139 1760

1770 1 .31118 2. 66230 1 .90177 1 .34946 2. 71594 1.90633 1.38710 2. 76823 1.91054 1770

1780 1 .30357 2. 65159 1 .90083 1 .34177 2.70520 1. 90544 1.37933 2. 75747 1.90970 1780

1790 1 .29603 2. 64094 1 . 89988 1 .33414 2. 69453 1.90454 1.37161 2. 74677 1.90884 1790

1800 1 .28855 2. 63036 1 . 89893 1.32657 2. 68392 1.90364 1.36396 2. 73614 1.90799 1800

1810 1 .28112 2. 61985 1 . 89797 1 .31906 2. 67338 1.90273 1.35637 2. 72557 1.90713 1810

1820 1 .27375 2.60939 1 .89701 1 .31160 2. 66290 1.90182 1. 34883 2. 71507 1 .90626 1820

1830 1 .26644 2. 59900 1 .89605 1 .30421 2. 65248 1 . 90091 1.34135 2. 70463 1.90539 1830

1840 1 .25919 2. 58867 1 . 89508 1 .29687 2. 64212 1.89999 1.33393 2. 69424 1.90452 1840

1850 1 .25199 2. 57840 1 . 89410 1 .28958 2. 63183 1.89906 1.32657 2. 68392 1.90364 1850

1860 1 .24485 2. 56819 1 .89312 1 .28236 2. 62159 1. 89813 1.31926 2. 67366 1.90276 1860

1870 1 .23776 2. 55804 I .89214 1 .27518 2. 61142 1. 89720 1.31200 2. 66346 1.90187 1870

1880 1 .23073 2. 54795 1 .89115 1 .26806 2. 60130 1. 89626 1.30480 2. 65332 1.90098 1880

1890 1 .22375 2. 53792 1 .89015 1 .26100 2. 59125 1.89532 1.29766 2. 64324 1.90009 1890

1900 1 .21682 2. 52795 . 88915 1 .25399 2. 58125 1.89437 1.29056 2. 63322 1.89919 1900

1910 1 .20995 2. 51804 . 88815 1 .24703 2. 57130 1. 89342 1.28352 2. 62325 1.89828 1910

1920 1 .20313 2. 50818 1 .88714 1 .24012 2. 56142 1.89246 1.27654 2. 61334 1 . 89738 1920

1930 1 .19635 2.49838 1 .88613 1.23326 2. 55159 1 . 89150 1 . 26960 2.60349 1.89646 1930

1 Q&D 1 .18963 2.48864 1

k. . 8851

1 .22646 2. 54182 1 . 89054 1.26271 2. 59369 1.89555 1940

1950 1 .18296 2. 47895 1L . O O T VJ 7 1 .21970 2. 53210 1.88957 1.25588 2. 58394 1.89463 1950

X 7 o u 1 .17634 2. 46931 1X Hfl3n7 1 .21300 2. 52244 1 . 24909 2. 57425 1 .89370 I960

1 .16977 2. 45973 1i. . o o c. 1 .20634 2. 51283 1 . ?4?'?5 2. 56462 1 . 89277 1970

X " O V/ 1 .16324 2. 45020 1 .88100 1 .19973 2. 50327 X • o o u o ^ 1 - ?3«5ft7 2. 55504 1 .89184 1980

X 7 7 w 1 .15677 2. 44073 I .87996 1 .19317 2. 49377 1X .• ftft J\J -J 1 . ?7<}03 2. 54551 1. 89091 1990

2000 1 .15034 2.43131 1 .87892 1 .18666 2. 48432 1.88466 1.22244 2. 53603 1.88996 2000

2010 1 .14396 2. 42194 1 .87787 1 . 18020 2. 47493 1.88367 1.21589 2. 52661 1.88902 2010

2020 1 .13762 2. 41262 1 .87681 1 .17378 2. 46558 1.88267 1.20939 2. 51724 1.88807 2020

2030 I .13134 2. 40336 1 .87576 1 .16741 2. 45628 1.88166 1.20294 2. 50792 1.88712 2030

2040 1 .12509 2. 39414 1 .87469 1 .16108 2.44704 1.88065 1.19654 2.49864 1.88616 2040

2050 1 .11889 2. 38498 1 .87363 1 . 15480 2. 43785 1.87964 1.19018 2.48942 1.88520 2050

2060 1 .11274 2. 37587 1 .87255 1 .14856 2. 42870 1.87862 1. 18386 2. 48025 1.88423 2060

2070 1 . 10663 2. 36680 1 .87148 1. 14237 2. 41961 1.87760 1.17759 2. 47113 1.88326 2070

2080 1 .10056 2. 35778 1 .87040 1 .13622 2. 41056 1.87658 1.17136 2. 46206 1.88229 2080

2090 1 .09454 2. 34881 1 .86931 1 .13012 2. 40156 1.87555 1.16518 2. 45303 1.88131 2090

c°

p

216
cm

-1

Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

c°

p

-(f°-e°)/t s° CO

p

•(f°-e°)/t s° c°

p -1 cm

T=3500, T=3600. T=3700.

2100 1.08856 2.33989 1.86822

2110 1.08262 2.33102 1.86713

2120 1.07673 2.32220 1.86603

2130 1.07087 2.31342 1.86493

2140 1.06506 2.30469 1.86382

1.12406 2.39261 1.87452 1.15904

1.11804 2.38371 1.87348 1.15294

1.11206 2.37486 1.87244 1.14689

1.10612 2.36605 1.87139 1.14087

1.10023 2.35728 1.87034 1.13490

2.44405 1.88033 2100

2.43512 1.87934 2110

2.42624 1.87835 2120

2.41740 1.87736 2130

2.40861 1.87636 2140

7 1 1. 05929 £ . vouu 11 . AAP71 00^ 1 L 1 • U7H.> f 2. 34857 1i • OD 7^ 0 1 .12897 2. 39987 1 R7S'^*? £ X 7U

^ LOU 1.05356 ^ 0 ( J 0 1 Rf> 1 An 11 • oU n0 A0 sI/O 2. 33989 11 • 000 £ £. 1 .12308 2. 39117 X . 0 1 "T J J c.9 1X AnOVJ ^9 11 7n• u 1.04786 2. 27876 1 . OOU*tO 1 • wO £. f 7 2. 33127 1 flA7 1 A 1 .11723 2. 38251 1L • KT^'^U 0 1 J ^? 1X 7nf w

£. X.OKJ 1. 04221 2. 27021 2. 32269 11 • 000 U 7 1 .11141 2. 37390 1 . 0 f c X Ov/ p 1 on 1. 03660 2. 26170 1 R^R 7 7 1 n7 1 ^

2. 31415 1 .86502 1 .10564 2. 36533 1 R7 1 "^n ^7 1X QO7U

2200 1.03102 2. 25324 1.85709 1.06570 2. 30565 1 .86395 1 .09991 2. 35681 1.87028 2200

2210 1. 02549 2. 24482 1.85595 1.06009 2. 29720 1 .86287 I .09422 2. 34833 1.86925 2210

2220 1. 01999 2. 23644 1.85481 1.05451 2. 28879 1 .86178 1 .08856 2. 33989 1.86822 2220

2230 1. 01453 2. 22811 1.85366 1.04897 2. 28043 1 .86069 1 .08294 2. 33150 1.86719 2230

2240 1. 00910 2. 21982 1.85251 1.04346 2.27211 1 .85960 1 .07736 2. 32315 1.86615 2240

2250 1. 00372 2. 21157 1.85136 1.03800 2. 26383 1 .85850 1 .07182 2. 31484 1.86511 2250

2260 0. 99837 2. 20336 1.85020 1.03257 2. 25559 1 .85740 1 .06631 2. 30657 1.86406 2260

2270 0. 99305 2. 19520 1.84904 1.02717 2. 24739 1 .85630 1 .06084 2.29834 1.86301 2270

2280 0. 98778 2. 18707 1.84787 1.02182 2. 23923 1 .85519 1 .05541 2. 29016 1.86196 2280

2290 0. 98253 2. 17899 1.84670 1.01649 2. 23111 1 .85408 1 .05001 2. 28201 1.86090 2290

2300 0. 97733 2. 17094 1.84552 1.01121 2. 22304 1 .85296 1.04465 2. 27390 1.85984 2300

2310 0. 97215 2. 16294 1.84434 1.00596 2. 21500 1 .85184 1 .03932 2. 26584 1.85877 2310

2320 0. 96702 2.15497 1.84316 1.00074 2. 20701 1 .85072 1 .03403 2. 25781 1.85770 2320

2330 0. 96191 2. 14705 1.84197 0.99556 2. 19905 1 .84959 1 .02877 2. 24982 1.85663 2330

2340 0. 95684 2. 13916 1.84078 0.99041 2. 19113 1.84845 1 .02355 2. 24187 1.85555 2340

2350 0. 95181 2. 13132 1. 83958 0. 98530 2. 18325 1. 84732 1. 01836 2. 23396 1. 85447 2350

2360 0. 94680 2. 12351 1. 83838 0. 98021 2. 17541 1. 84617 1. 01320 2. 22609 1. 85338 2360

2370 0. 94184 2. 11574 1. 83717 0. 97517 2. 16760 1. 84503 1. 00808 2. 21826 1. 85230 2370

2380 0. 93690 2. 10800 1. 83596 0. 97015 2. 15984 1. 84388 1. 00299 2. 21046 1. 85120 2380

2390 0. 93199 2, 10031 1. 83475 0. 96517 2. 15211 1. 84273 0. 99794 2. 20270 1. 85011 2390

2400 0. 92712 2. 09265 1. 83353 0.96022 2. 14442 1.84157 0.99291 2. 19498 1.84900 2400

2410 0. 92228 2. 08503 1. 83231 0.95530 2. 13676 1.84041 0.98792 2. 18729 1.84790 2410

2420 0. 91747 2. 07744 1. 83108 0.95041 2. 12914 1.83924 0.98296 2. 17964 1.84679 2420

2430 0. 91269 2. 06990 1. 82985 0.94556 2. 12156 1.83808 0.97803 2. 17203 1.84568 2430

2440 0. 90795 2. 06238 1. 82862 0.94074 2. 11401 1.83690 0.97313 2. 16445 1.84456 2440

2450 0. 90323 2 .05491 1 .82738 0. 93594 2. 10650 1.83573 0. 96826 2. 15691 1.84344 2450

2460 0. 89855 2 .04747 1 .82614 0. 93118 2. 09903 1.83455 0. 96343 2. 14940 1.84232 2460

2470 0. 89389 2 .04006 1 .82489 0. 92645 2. 09159 1.83336 0. 95862 2. 14193 1.84119 2470

2480 0. 88927 2 .03269 1 .82364 0. 92175 2. 08418 1.83217 0.95384 2. 13449 1.84006 2480

2490 0. 88467 2 .02535 1 .82239 0. 91707 2. 07681 1.83098 0. 94910 2. 12709 1.83893 2490

2500 0. 88010 2.01805 1 .82113 0. 91243 2. 06948 1.82978 0. 94438 2. 11972 1.83779 2500

2510 0. 87557 2 .01078 1 .81987 0. 90782 2. 06218 1.82858 0. 93970 2. 11239 1.83665 2510

2520 0. 87106 2 .00355 1 .81860 0. 90323 2. 05491 1.82738 0. 93504 2. 10509 1.83550 2520

2530 0. 86658 1 .99635 1 .81733 0. 89868 2. 04767 1.82617 0. 93041 2. 09782 1.83435 2530

2540 0. 86213 1 .98918 1 .81606 0. 89415 2. 04047 1.82496 0. 92581 2. 09059 1.83320 2540

2550 0. 85770 1 .98205 1 .81478 0. 88965 2. 03330 1.82375 0. 92124 2. 08339 1.83204 2550

2560 0. 85331 1 .97495 1 .81350 0. 88518 2. 02617 1.82253 0. 91670 2. 07622 1.83088 2560

2570 0. 84894 1 .96788 1.81221 0. 88074 2. 01906 1.82130 0. 91218 2. 06908 1.82972 2570

2580 0. 84460 1 .96085 1 .81092 0. 87632 2. 01199 1.82008 0. 90769 2. 06198 1.82855 2580

2590 0. 84029 1 .95384 1 .80963 0. 87193 2. 00495 1. 81885 0. 90323 2. 05491 1.82738 2590

638951 O - 62 - 15
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

1/ -(f°-e°)/t s° c° -(f°-e°)/t s° c° -(f°-eo)/t s°

cm

T =3500. T =3600. T =3700.

^OUU nu • o JoUU 1 .94687 1 0. 86757 1.99795 1 a 1 ~7 1 . O 1 1 O 1 u

2 0 A "7 0 "7 . 04 78 I 1 . 82621 2600

2610 0. 83174 1 .93993 1 .80703 0. 86324 1 .99097 1 .81638 0. 89439 2 .04086 1.82503 2610

2620 0. 82751 1 .93303 1 .80572 0. 85893 I .98403 1 .81513 0. 89001 2 .03388 1.82385 2620

2630 0. 82330 1 .92615 1 .80441 0.85465 i Q77 1

"5 • 7 # fit 1 .81389 0. 88566 2 .02694 1.82266 2630

2640 0. 81912 1 .91930 1 .80310 0. 85039 1 .97024 1 .81264 0. 88133 2 .02002 1.82147 2640

r\

\j • O X H 7 f 1 .91249 1 • O U 1 f o 0 . 1 .96338 i. • (31137 nu • n7 7 n C. • u 1 3 l*t 1 Q "5 n 9 fi 2660 0. 81084 1 .90571 1 .80046 0. 84196 1 .95656 1 .81013 0. 87276 2 .00628 1.81908 2660

2670 0. 80674 1 -89895 1 .79914 0. 83778 1 .94977 1 .80887 0. 86851 1 .99946 1.81788 2670

2680 0. 80266 1.89223 1 .79781 0. 83363 1X 1 .80761 0. 86429 1 .99267 1.81668 2680

2690 0. 79860 1 .88554 1 .79648 0. 82950 I .93628 1 .80634 0. 86009 1 .98590 1.81547 2690

2700 0. 79458 1 .87887 1 « TQ^il i 7 J 4 1 .92958 1 .80507 n fl55Q? I

1. . Q7Q1 7 f 7 X 7f X . 0 X ^ c. 0

2710 0. 79057 1 .87224 1 .79380 0. 82133 1 .92291 1 .80379 0. 85177 1 .97246 1.81305 2710

2720 0. 78659 1 .86563 1 .79246 0. 81727 1 .91627 1 .80251 0. 84765 1 .96579 1.81183 2720

2730 0. 78264 1 .85906 1 .79111 0. 81324 1 • 7 VJ 7 o o 1 .80123 0. 84355 1 .95914 1.81061 2730

2740 0. 77871 1 .85251 1 .78976 0. 80924 1 .90308 1 .79995 0. 83947 1 .95252 1.80938 2740

^ f -> u 0. 77480 1 .84600 1i 0. 80526 1 .89652 1 .79866 u «

"X «\ A 9 1 .94593 1 Q n 0

c. f DK) 2760 0. 77092 1 .83951 1 .78705 0. 80130 1 .89000 1 .79736 0. 83140 1 .93937 1.80692 2760

2770 0. 76706 1 .83305 1 .78568 0. 79737 1 .88350 1.79607 0. 82740 1 .93284 1.80569 2770

2780 0.76322 1 .82661 1 .78432 0. 79346 I .87703 1 .79477 0. 82342 1 .92634 1.80445 2780

2790 0. 75941 I .82021 1 .78295 0. 78958 1 .87059 1 .79346 0. 81946 1 .91986 1.80321 2790

o Qr\f\ ^oUU 0. 75562 1 .81383 I 7 Q 1 7 . 1 O 1 D f 0. 78571 1 .86417 1.79216 U • a 1 c c o 1 5 D J 1.91341 1 Q n 1 0 A 2810 0. 75185 1.80748 1 .78020 0. 78187 1 .85778 1 .79085 0. 81162 1 .90699 1.80071 2810

2820 0. 74810 1 .80116 1 .77882 0. 77805 1 .85142 1 .78953 0. 80773 1 .90059 1.79946 2820

2830 0. 74438 1 .79487 1 .77743 0. 77426 1 .84509 1 .78822 0. 80387 1 .89423 1.79820 2830

2840 0. 74068 1 .78860 1 .77605 0. 77049 1 .83879 1 .78689 0. 80003 1 .88788 1.79694 2840

0. 73700 1 .78236 11 • 77f f AA<5 HOP 0. 76674 1.83251 1 .78557 7Q A9 1 1 .88157 1*1 7 POO

2860 0. 73334 I .77615 1 .77326 0.76301 1 .82626 1 .78424 0. 79241 1 .87528 1.79442 2860

2870 0. 72971 1 .76996 1 .77186 0. 75930 1 .82003 1 .78291 0. 78863 1 .86902 1.79315 2870

2880 0. 72609 1 .76380 1 .77046 0. 75562 1,81383 1 .78157 0. 78488 1 .86279 1.79187 2880

2890 0. 72250 1 .75766 1 .76905 0. 75195 1 .80766 1 .78024 0. 78115 1 .85658 1.79060 2890

0. 71893 1 .75156 1 7A7A 0. 74831 1 .80151 1 .77889 0. 77744 1 .85040 1 • 1 0^ DC. 7Qnn

2910 0. 71538 1 .74547 1 .76623 0. 74469 1 .79539 1 .77755 0. 77375 1 .84424 1.78804 2910

2920 0. 71185 1 .73942 1 .76482 0.74109 1 .78930 1.77620 0. 77008 1 .83811 1.78675 2920

2930 0. 70834 1 .73339 1 .76340 0. 73751 1 .78322 1 .77485 0. 76643 1 .83200 1.78546 2930

2940 0. 70485 1 .72738 1 .76197 0. 73395 1.77718 1 .77349 0. 76281 1 .82592 1.78417 2940

o a c n <:9!)0 0. 70138 1 .72140 1~T z. c c

. 76055 0. 73041 1 .77116 1.77213 0. 75920 1 .81986 1 0 0 0 7 1 . 7828 f 0 n c A 2950

2960 0. 69794 1 .71544 1 .75912 0. 72689 1 .76517 1 .77077 0. 75562 1 .81383 1.78157 2960

2970 0. 69451 1 .70951 1 .75769 0.72340 1 .75920 1 .76941 0. 75205 1 .80783 1.78027 2970

2980 0. 69110 1 .70361 1 .75625 0. 71992 1 .75325 1 .76804 0.74851 1.80184 1.77897 2980

2990 0. 68771 1 .69773 1 .75481 0.71646 1 .74733 1 .76667 0. 74498 1 .79589 1.77766 2990

3000 0. 68435 1 .69187 1 .75336 0. 71302 I .74143 1 .76529 0. 74148 1 .78995 1.77635 3000

3010 0. 68100 1 .68604 I .75192 0. 70961 1 .73556 1 .76391 0. 73799 1 .78404 1.77503 3010

3020 0. 67767 1 .68023 1 .75047 0. 70621 1 .72971 1 .76253 0. 73453 1 .77816 1.77371 3020

3030 0. 67436 1 .67444 1 .74901 0. 70283 1 .72389 1 .76114 0. 73108 1 .77230 1.77239 3030

3040 0. 67107 1 .66868 1 .74756 0. 69947 1 .71809 1 .75975 0. 72765 1 .76646 1.77107 3040

3050 0. 66779 1 .66295 1 .74610 0. 69613 1 .71231 1 .75836 0. 72425 1 .76065 1.76974 3050

3060 0. 66454 1 .65723 1 .74463 0. 69280 1 .70656 1 .75697 0. 72086 1 .75485 1.76841 3060

3070 0. 66131 1 .65154 1 .74317 0. 68950 1 .70083 1 .75557 0. 71749 1 .74909 1.76707 3070

3080 0.65809 1.64588 1 .74169 0. 68622 1 .69512 1 .75417 0. 71414 1 .74334 1.76574 3080

3090 0. 65489 I .64024 1 .74022 0.68295 1 .68944 1 .75276 0. 71080 1.73762 1.76440 3090

c°

p

1/

cm

218
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

V -(F°-Eg)/T S° C° -(Fo-E°)/T S° C° -(F0-E°)/T S°

cm

T=3500. T=3600. T=3700.

3100 0. 65171 1.63461 1 .73874 0. 67970 1 .68378 1.75135 0. 70749 1 .73192 1.76305 3100

3110 0. 64855 1,62902 1 .73726 0. 67647 1 .67814 1.74994 0. 70420 1.72625 1.76171 3110

3120 0. 64541 1.62344 1 .73578 0. 67326 1 .67252 1.74853 0. 70092 1 .72059 1.76036 3120

3130 0. 64228 1.61789 1 .73429 0. 67007 1 .66693 1.74711 0. 69766 1 .71496 1.75900 3130

3 1. *tU 0. 63917 1I . AD 11 7 ^ A

11 0. 66689 1X A A I -1 A * OO L J O X . 1 O 7 n 1 .70935 1 7'i7A«5 J 1L*T\J 40

3150 0. 63608 1.60685 1 .73131 0. 66373 1 .65581 1.74427 0. 69119 1.70377 1.75629 3150

3160 0. 63301 1.60137 1 .72981 0. 66059 1 .65028 1.74284 0. 68799 1 .69820 1.75493 3160

3170 0. 62995 1.59591 1 .72832 0. 65747 1 .64478 1.74141 0. 68480 1 .69266 1.75356 3170

3180 0.62692 1.59046 1 .72681 0.65436 1 .63930 1.73998 0. 68163 1 .68714 1.75219 3180

1 on 0. 62389 X . J O 3 U *T

1L • f £.Z} O L 0. 65127 1X . O J J X . f J O 3^ \j . A7 AAH 1 .68164 1 . t J \J o c. ^1 <5n

3200 0.62089 1.57965 1 .72380 0. 64820 1 .62840 1.73710 0. 67534 1.67616 1.74945 3200

3210 0. 61790 1.57427 1 .72229 0. 64515 1 .62298 1.73566 0. 67222 1 .67071 1.74807 3210

3220 0. 61493 1.56892 1 .72077 0. 64211 1 .61758 1.73421 0. 66912 1.66527 1.74669 3220

3230 0. 61198 1.56358 1 .71925 0. 63909 1 .61221 1.73276 0. 66603 1 .65986 1.74531 3230

0. 60904 m J J O C 1 1X . 71773 0.63608 1X • vJ V w O J X . 1 ^ X ^ X n\j . 1 .65446 J C- ~<J

3250 0. 60612 1.55298 1 .71621 0. 63309 1 .60152 1.72986 0. 65991 1 .64909 1.74253 3250

3260 0. 60321 1.54771 1 .71468 0. 63012 1 .59621 1.72840 0. 65688 1 .64374 1.74114 3260

3270 0. 60032 1.54246 1 .71315 0. 62717 1 .59092 1.72694 0. 65386 1 .63841 1.73974 3270

3280 0. 59745 1.53723 1 .71161 0. 62423 1 .58565 1.72547 0. 65086 1 .63310 1.73834 3280

3290 0. 59459 1 .53202 1 . 71008 0. 62131 1 . 58040 1.72401 0. 64787 1 .62781 1 .73694 3290

3300 0. 59175 1. 52684 1 . 70854 0. 61840 1 .57517 1.72254 0. 64490 1.62254 1.73554 3300

3310 0. 58892 1.52167 1 .70699 0.61551 1 .56996 1.72106 0. 64194 1 .61729 1.73413 3310

3320 0. 58611 1.51652 1 .70545 0. 61263 1 .56477 1.71959 0. 63901 1 .61206 1.73272 3320

3330 0. 58332 1.51139 1 .70390 0. 60977 1 .55960 1.71811 0. 63608 1 .60685 1.73131 3330

3340 0. 58054 1 . Sn6?Q 1X . 1 yj c J J 0. 60693 1X 9 J J J 1.71 X . 1 X hh'\ 0- W J ^ X.O 1 .60166 1 - 72990 3340

3350 0. 57778 1.50120 1 .70079 0. 60410 1 .54932 1.71514 0. 63028 1 .59649 1.72848 3350

3360 0. 57503 1.49613 1 .69923 0. 60128 1 .54421 1.71366 0. 62741 1 .59135 1.72706 3360

3370 0. 57229 1.49109 1 .69767 0. 59848 1 .53912 1.71217 0. 62455 1 .58621 1.72563 3370

3380 0.56957 1.48606 1 .69611 0.59570 1 .53405 1.71067 0. 62170 1 .58110 1.72421 3380

3390 0. 56687 1X . ^ ' ' ^ ' 0. 59293 1X . -/ c. O 7 7 X1 . 7nqi f 17 7 X o n AO 1X s^s^^ O O 1 1 .57601 1 . 77278 3390

3400 0. 56418 1.47606 1 .69297 0. 59018 1 .52396 1.70768 0. 61605 1 .57094 1.72134 3400

3410 0. 56151 1.47109 1 .69140 0. 58744 1 .51895 1.70618 0. 61325 1 .56589 1.71991 3410

3420 0. 55885 1.46614 1 .68983 0. 58471 1 .51396 1.70467 0. 61047 1 .56085 1.71847 3420

3430 0. 55620 1.46121 1 .68825 0. 58201 1 .50898 1.70317 0. 60769 1 .55584 1.71703 3430

3440 0. 55357 1 .45630 1 .68667 0. 57931 1X . 50402 1 .701AA 0. 60494 1 .55084 1.71559 3440

3450 0. 55095 1.45140 1 .68509 0. 57663 1 .49909 1.70014 0. 60219 1 .54586 1.71414 3450

3460 0.54835 1.44653 1 .68350 0. 57396 1 .49417 1.69863 0. 59947 1 .54090 1.71269 3460

3470 0. 54576 1.44167 1 .68191 0. 57131 1 .48927 1.69711 0. 59675 1 .53596 1.71124 3470

3480 0. 54319 1.43683 1 .68032 0.56867 1 .48439 1.69559 0. 59405 1 .53104 1.70979 3480

3490 0. 54062 1.43202 1 .67872 0. 56605 1 .47952 1.69407 0. 59137 1 .52614 1.70833 3490

3500 0. 53808 1.42721 1 .67713 0. 56344 1 .47468 1.69254 0. 58870 1 .52125 1.70687 3500

3510 0. 53554 1.42243 1 .67553 0. 56084 1 .46985 1.69101 0.58604 1 .51638 1.70541 3510

3520 0. 53302 1.41767 1 .67392 0. 55826 1 .46504 1.68948 0. 58339 1 .51153 1.70394 3520

3530 0.53052 1.41292 1 .67232 0.55569 1 .46025 1.68794 0. 58076 1 .50670 1.70247 3530

3540 0. 52802 1.40819 1.67071 0. 55313 1 .45548 1.68641 0. 57815 1 .50189 1.70100 3540

3550 0. 52554 1.40348 1 .66910 0. 55059 1 .45073 1.68487 0. 57555 1 .49709 1.69953 3550

3560 0. 52308 1.39879 1 .66748 0. 54806 1 .44599 1.68332 0. 57296 1 .49231 1.69805 3560

3570 0. 52062 1.39411 1 .66587 0. 54554 1 .44127 1.68178 0. 57038 1 .48755 1.69658 3570

3580 0. 51818 1.38946 1.66425 0. 54304 1 .43657 1.68023 0. 56782 1 .48281 1.69510 3580

3590 0. 51576 1.38482 1 .66263 0.54055 1 .43188 1.67868 0. 56527 1 .47808 1.69361 3590

CO

P

2/ cm

219
V

cm

-1

Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

-(f°-e°)/t s° c°

p

-(f°-e°)/t s° -(f°-e°)/t c°

p

V

-1

cm

T =3500. T= 36001 J\J \J\J m T1

3600 0.51334 1 .38019 1 .66100 0. 53808 1.42721 1 .67713 0.56273 1 .47337 1.69213 3600

3610 0. 51094 1 .37559 I .65937 0. 53561 1.42256 . 67557 0.5602 I \ . 46868 1 .69064 3610

3620 0-50855 1 .37100 I . 65774 0. 53316 1 .41793 I .67401 0. 55770 . 46401 .68915 3620

3630 0- 50618 1 .36643 I . 6561

0. 53073 1.41332 I . 67245 0.55520 .45935 1. 68765 3630

3640 0.50381 1 .36188 1 . 65448 0. 52830 1 .40872 .67089 0.55272 .45471 1 .68613640

3650 0.50146 1 .35734 1 .65284 0. 52589 1.40413 1 .66932 0.55025 1 .45008 1.68466 3650

3660 0.49912 1 .35282 I .65120 0. 52349 1 . 39957 I .66775 0. 54779 1 .44548 1.68316 3660

^ O f u fl\J m- 49680 T 7 <J ty W 1.34832 1 . 64956 0. 52110 1 . 3<550? 1 666 1 8 0. 54534 X, . 4408 9 1 . 6R 1 65 3670

^6Rr) _^ Vj O 0 . 49448 1.34383 X .64791 . 1 7 J. 0. 51873 1. 39049 1X . 6646

V/ . -/ ^ ^ 7 1. 1L . 4363

1 .6801

3680

^ O 7 U n 4Q? 1 ft 1.33936 1 0. 51636 1 n <>4n4q 1 .43176 1 • O f O V H J^ A4n O 7 U

3700 0.48989 1 .33491 1 •64462 0. 51401 1.38148 1 .66145 0.53808 1 .42721 1.67713 3700

U • HO 1 O

1 .33047 1 0.51167 I • 5 1 O " 7

1X ARQA7 1 .42269 1 A7SA1 •^7 J 1 Xvl 1 n

1 .32605 11 • OH X D L 0. 50935 1 7 7 R ^ 11 1 .41818 I A7^ 1

1 .32165 1i. m AO "^QA D^Oj^ 0. 50703 1 « o u o J. A*i A7n 1 .41369 1i. . A79Sfl O ( c n A. A n a U • HO U O 3 I . 31726 A ^70Q 0. 50473 1 A ^ AZi 1 AC; R 1 1 n CIO o

1 .40921 1 A7 1 HA 74n

3750 0.47862 1 .31289 1 .63633 0. 50244 1.35923 1 .65352 0.52621 1 .40475 1.66953 3750

n 47A&n 1 .30853 1L . OJ7 ^ D O 0. 50016 1 ^'54ft'l 1

i. . O J i. 7 3 n\J •

•>J £.7 D aO AG 1 .40031 1X . AARni OOOU X ^7An

W . 1 1 7 1 .30419 11 . O J J V u 0. 49789 1 ^«in44 1 . \j J \j J J \J m J C L J J 1 .39588 1 AA64fl 3770

3780 n.47?00 • I 1 £. \j \j 1 .29987 I . 63133 0. 49564 1 . 34607 I . 64874 0. 51924 1.39147 1 . 66495 3780

-Ji7Qn t 7 U 0 - 46Qft

\J m » vj 7 O 1 1 .29556 1L A?Q66 0. 49339 1 . 34172 I . 647 1

0.51694 1 .38707 1 .66341 3790

3800 0.46764 1 .29127 1 .62798 0. 49116 1.33738 I .64553 0.51465 1.38269 1.66188 3800

3810 0.46548 1 .28699 1 . 62630 0. 48894 1. 33306 I . 64393 0.51237 1 .37832 1 .66034 3810

3820 0.46333 1 .28273 1 . 62463 0. 48673 1.32875 1 .64232 0.51010 1 .37397 1.65880 3820

3830 0.46119 1 .27849 1 . 62294 0. 48453 1 . 32446 1 .64071 0.50784 1 .36964 1.65726 3830

3840 0.45906 1 .27426 . 62126 0. 48234 1. 32018 1 . 63910 0. 50560 1 .36532 1.65571 3840

3850 0.45694 1 .27004 1 .61957 0. 48017 1.31592 1 .63748 0.50337 1 .36102 1.65417 3850

3860 0 . 45484 1 .26584 I .61789 0. 47800 1. 31 167 1 .63587 0.50114 1 .35673 1.65262 3860

3870 0.45274 1 .26166 I .61620 0. 47585 1. 30744 1 .63425 0.49893 1 .35245 1.65107 3870

3880 0.\J • 45066 ~J* W W u 1 .25749 I .61450 0.47370 1.30323 1 .63263 0.49673 1 .34819 1.64951 3880

3890 0. 44858 1 .25334 I .61281 0.47157 1 .29903 1 .63100 0.49454 1 .34395 1.64796 '3890

3900 0.44652 1 .24920 1 .61111 0. 46945 1.29484 1 .62938 0.49237 1 .33972 1.64640 3900

3910 0.44447 I .24507 I .60941 0. 46734 1.29067 1 .62775 0.49020 1 .33551 1.64484 3910

3920 0.44242 1 .24097 1 .60771 0.46524 1.28652 1 .62612 0.48804 1 .33131 1.64328 3920

3930 0.44039 1 .23687 1 .60601 0. 46315 1.28238 1 .62449 0.48590 1 .32712 1.64171 3930

3940 0.43837 1 .23279 1 .60430 0. 46107 1.27825 1.62285 0.48376 1 .32295 1.64014 3940

3950 0.43636 1 .22873 1 .60259 0. 45900 1.27414 1 .62121 0.48164 1 .31880 1.63857 3950

3960 0.43436 1.22468 1 .60088 0. 45694 1.27004 1 .61957 0.47952 1 .31466 1.63700 3960

3970 0.43237 1 .22064 1 .59917 0. 45489 1.26596 1 .61793 0.47742 1 .31053 1.63543 3970

3980 0.43039 1 .21662 1 .59746 0. 45286 1.26189 1 .61629 0.47533 1 .30642 1.63385 3980

3990 0.42842 1 .21262 1 .59574 0. 45083 1.25784 1 .61464 0.47324 1 .30232 1.63227 3990

4000 0.42646 1 .20862 1 .59402 0. 44881 1.25380 1 .61300 0.47117 1.29824 1.63069 4000

I

!

220
• Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

V -(F0-E°)/T S° CO -(F°-E°)/T S° C2 -(F°-E°)/T S° ^

U P

Jr \J cm

T=3800. T=3900. T=4000.

100 6. 54305 8. 49284 1 .98693 6. 59371 8. 54445 1 .98695 6. 64311 8.59476 1 .98696 100

110 6. 35739 8. 30347 1 .98688 6.40796 8.35508 1 .98690 6.45726 8. 40538 1 .98691 110

120 6. 18822 8.13059 1 .98683 6. 23869 8. 18220 1 .98685 6. 28791 8. 23250 1 .98686 120

130 6. 03289 7. 97156 1 .98677 6. 08327 8. 02 317 1 .98679 6. 1 3^:40 8. 07347 1 .98681 130

140 5. 88936 7. 82433 1 .98670 5. 93964 7. 87593 1 .98673 5. 98868 "71 . n o t T "a 1 .98675 140

150 5. 75599 7. 68726 1 .98664 5. 80617 7. 73886 1 .98666 5. 85512 7. 78916 1 .98669 150

160 5. 63146 7. 55905 1 .98656 5.68155 7. 61065 1 .98659 5. 73041 7. 66095 1 .98662 160

170 5. 51471 7 • 43862 1 .98648 5. 56471 7. 49022 1 .98652 5. 61348 7. 54051 1 .98655 170

180 5. 40485 7. 32507 1 .98640 5. 45475 1 . 3 766 7 1 .98644 C f\ 1 f. 'i 30343 7. 42696 1 .98648 180

190 5. 30113 7. 21768 1 .98631 5. 35093 7. 26927 1 .98636 5. 39952 7. 31956 1 .98640 190

200 5. 20292 7. 11579 1 .98622 5. 25263 7. 16739 1.98627 5. 30113 7. 21768 1 .98631 200

210 5. 10967 7. 01889 1 .98612 5. 15929 7. 07048 1 .98618 5. 20770 7. 12077 1 .98622 210

220 5. 02094 o • I .98602 5.07047 6. 97809 1 .98608 5. 11879 7. 02837 1 .98613 220

230 4. 93632 6. 83822 1 .98591 4. 98575 o . O U O O A Ho VoU 1 .98598 c0 . ^J33^^t> 6. 94008 1 .98604 230

240 4. 85545 6. 75370 1 .98580 4. 90479 6. 80528 1 .98587 4. 95293 6. 85556 1 .98594 240

250 4. 77803 6. 67264 1 .98569 4. 82728 6. 72422 1 .98576 4. 87533 6. 77449 1 .98583 250

260 4. 70380 6. 59476 1 .98557 4. 75295 6. 64634 1 .98565 4. 80091 6.69661 1 .98572 260

270 4.63250 6 . 1 .98544 4. 68156 6. 57140 1 .98553 4. 72943 6. 62167 1 .98561 270

280 4. 56393 6. 1 .98531 4. 61289 6. 499 11.98540 4. ^ r\ z. o 6. 54946 1 .98549 280

290 4. 49789 6. 37796 1 .98517 4. 54676 6. 42952 1 .98528 4. 59446 6. 47979 1 .98537 290

300 4. 43421 6. 31066 1 .98503 4. 48299 6. 36222 1 .98514 4. 53060 6. 41248 1 .98524 300

310 4. 37274 6. 24557 1 .98489 4.42143 6. 29713 1 .98501 4. 46895 6. 34739 1.98511 310

320 4. 31334 6. 18256 1 .98474 4. 36193 6. 23411 1 .98486 4. 40937 6. 28437 1 .98498 320

330 4. 25588 6. 12149 1 .98459 4. 30438 6. 1 7304 1 .98472 4. 35173 6. 22329 1 .98484 330

340 4. 20024 6. 06224 1 .98443 4.24865 6« 11379 1 .98457 4. 29590 6. 16404 1 .98470 340

350 4. 14631 6. 00472 1 .98426 4. 19463 6. 05627 1 .98441 4. 24180 6. 10651 1 .98455 350

360 4. 09401 5. 94883 1 .98410 4. 14224 6. 00037 1.98425 4. 18932 6. 05060 1 .98440 360

370 4. 04324 5. 89447 1 .98392 4. 09137 5. 94600 1 .98409 4. 13837 5. 99624 1 .98424 370

380 3. 99392 5. 84156 1 .98375 4. 04196 5. 89309 1 .98392 4. 08887 5. 94332 1 .98408 380

390 3. 94597 5. 79003 1 .98356 3. 99392 5. 84156 1 .98375 4. 04074 5. 89179 1 .98391 390

400 3. 89933 5. 73982 1 .98338 3. 94719 5. 79134 1 .98357 3. 99392 5. 84156 1.98375 400

410 3. 85393 5. 69084 1 .98318 3. 90169 5. 74236 1 .98339 3. 94834 5. 79258 1 .98357 410

420 3. 80971 5.64306 1 .98299 3. 85738 5. 69457 1 .98320 3. 90394 5. 74478 1 .98339 420

430 3. 76661 5. 59640 1 .98279 3. 81419 5. 64790 1 .98301 3. 86066 5. 69811 1 .98321 430

440 3. 72458 5. 55082 1 .98258 3. 77207 5. 60232 1 .98281 3. 81846 5. 65252 1 .98303 440

450 3. 68358 5. 50627 1 .98237 3. 73098 5. 55776 1 .98261 3. 77728 5. 60796 1 .98284 450

460 3. 64356 5. 46270 1 .98215 3. 69087 5. 51419 1 .98241 3. 73708 5. 56438 1 .98264 460

470 3. 60447 5. 42007 1 .98193 3. 65169 5. 47156 1 .98220 3. 69782 5. 52174 1 .98244 470

480 3. 56629 5. 37835 I .98171 3. 61341 5. 42983 1 .98199 3. 65945 5. 48001 1 .98224 480

490 3. 52896 5. 33749 1 .98148 3. 57600 5. 38896 1 .98177 3. 62195 5. 43914 1 .98203 490

500 3. 49246 5. 29746 1 .98125 3. 53940 5. 34893 1 .98154 3. 58527 5. 39910 1.98182 500

510 3. 45675 5. 25823 1 .98101 3. 50360 5. 30969 1 .98132 3. 54939 5. 35986 1 .98161 510

520 3. 42180 5. 21976 1 .98076 3. 46857 5. 27122 1 .98109 3. 51426 5. 32138 1 .98139 520

530 3. 38759 5. 18203 1 .98051 3. 43426 5. 23348 1 .98085 3. 47987 5. 28364 1 .98116 530

540 3. 35408 5. 14502 1 .98026 3. 40066 5. 19646 1 .98061 3. 44619 5. 24661 1 .98093 540

550 3. 32125 5. 10868 1 .98000 3. 36774 5. 16012 1 .98037 3. 41318 5. 21026 1 .98070 550

560 3. 28907 5. 07301 1 .97974 3. 33548 5. 12444 1 .98012 3. 38083 5. 17458 1 .98046 560

570 3. 25753 5. 03797 1 .97947 3. 30384 5. 08939 1 .97986 3. 34911 5. 13952 1 .98022 570

580 3. 22659 5. 00355 1 .97920 3. 27282 5. 05496 1 .97961 3. 31800 5. 10509 1 .97998 580

590 3. 19625 4. 96972 1 .97893 3. 24238 5. 02112 I .97934 3. 28748 5. 07124 1 .97973 590

p cm

U

-1

221
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

V

-1

cm

(F°-Eg)/T S° C°P -(f°-e°)/t S° C°

P -(F°-E°)/T S° COP V

T=3800. T=3900. T=^000.

600 3 .16647 4.93646 1 . 97865 3.21252 4. 98 F86 1 . 97908 3.25753 5. 03797 1 .97947 600

610 3 . 13724 4.90375 1 .97836 3 .18320 4.95515 1 .97880 3 .22813 5. 00525 1 .97922 610

620 3 . 10855 4.87159 1 .97807 3 . 15441 4.92293 1 .97853 3 . 19926 4. 97307 1 .97895 620

630 3 .08036 4.83994 I .97777 3 .12614 4. 89132 I .97825 3 .17090 4. 94141 1 . 97869 630

640 3 .05268 4.80880 1 .97747 3 . 09837 4.86017 1 .97796 3 . 14304 4. 91025 1 .97842 640

650 3 .02548 4.77814 1 .97717 3 .07108 4. 82 950 1 .9 7767 3 . 1 1567 4. 87958 1 .97814 650

660 2 .99875 4.74796 1 . 97686 3 . 04426 4.79931 1 .97738 3 .08877 4. 84938 1 .97786 660

670 2 .97247 4.71823 I .97655 3 .01789 4. 76958 I .97708 3 .06231 4. 8 1964 1 .97758 670

680 2.94663 4.68895 1 .97623 2 .99197 4. 74029 1 .97678 3 .03630 4. 79034 1 .97729 680

690 2 .92122 4.66010 I . 97591 2 . 96647 4. 7L143 1 .97647 3 .010 72 4. 76148 1 .97700 690

700 2 .89623 4.63167 1 .97558 2 .94138 4.68300 1 .9761

2 .98555 4. 73 304 1 .97670 700

710 2 .87163 4.60365 1 . 97525 2 .91670 4. 65497 1 .97585 2 . 960 79 4. 70500 1 .97640 710

720 2 .84743 4. 57603 1 .97491 2 .89242 4.62734 1 .97553 2 .93642 4. 67736 1 .97610 720

730 2 .82361 4.54879 1 .97457 2 .86851 4.60009 I .97520 2 .91243 4. 65010 1 .97579 730

740 2 .80016 4.52193 I .97422 2 . 84497 4.57322 1 .97487 2 . 88881 4. 62322 1 .97548 740

750 2 .77708 4.4954 3 I .97387 2 .82180 4. 54671 1 .97454 2 .86555 4. 59671 1.97516 750

760 2 .75434 4.46929 1 .97351 2 .79397 4. 52056 1 .97420 2 .84264 4. 57055 1 .97484 760

770 2 .73194 4.44349 1 .97315 2 . 77649 4. 49475 1 . 97386 2 .82007 4. 54474 1 .97452 770

780 2 .70988 4.41803 1 . 97279 2 .75434 4.46929 1 . 97351 2 . 79784 4. 51926 1 .97419 780

790 2 .68814 4.39290 1 .97242 2 .73251 4. 44415 1 .97316 2 .77593 4. 49411 1 .97385 790

800 2 .66672 4.36810 1 . 97205 2 .71100 4.41933 1 .97281 2 . 75434 4. 46929 1 .97351 800

810 2 .64560 4. 34360 1 . 97167 2 .68980 4.39483 1 .97245 2 . 73305 4. 44477 1 .97317 810

820 2 .62479 4.31941 1 .97128 2 .66890 4. 37063 1 .97208 2 .71207 4. 42056 1 .97283 820

830 2 .60427 4.29552 1 . 97090 2 .64829 4. 3^*672 1 .97172 2 .69138 4. 39665 1 .97248 830

840 2 .58403 4.27192 1 .97050 2 .62797 4. 3231

1 .97134 2 .67098 4. 37303 1.97212 840

850 2 .56408 4.24860 1 .97011 2 .60793 4. 29979 1 .97097 2 -65035 4. 34970 1 .97176 850

860 2 .54440 4.22556 1 . 96970 2 .58816 4. 2 7674 1 .97058 2 .63100 4. 32664 1 .97140 860

870 2.52498 4.20279 1 . 96930 2 . 56866 4.25396 1 .97020 2 .61 142 4. 30385 1 .97103 8 70

880 2 .50582 4.18029 1 .96889 2 .54942 4. 2 3144 1 . 96981 2 .59209 4. 28132 1 .97066 880

890 2 .48692 4. 15604 1 .96847 2 .53043 4.20919 1 .96941 2 .57302 4. 25906 1 -97029 890

900 2 .46827 4. 13605 1 . 96805 2 .51169 4. 18718 1 . 96901 2 .55420 4. 23705 1 .96991 900

910 2 .44986 4. 1 1430 1 .96763 2 .49319 4. 16543 1 .96861 2 . 53563 4. 21528 1 .96952 910

920 2 .43169 4.09280 1 .96720 2 , ^7494 4. 14391 1 .96820 2 .51729 4. 19376 1 .96913 920

930 2 .41375 4.07154 I .966 ?6 2 .45691 4. 12264 1 .96779 2 .49918 4. 17247 1 .96874 930

940 2.39603 4.05051 1 .96633 2 .43911 4. 10159 1 .96737 2 .48130 4. 15142 1 .96835 940

950 2.37854 4.02970 1 .96588 2 .42154 4. 08078 1 . 96695 2 .46364 4. 13059 1 .96795 950

960 2 .36127 4.00912 1 . 96543 2 .40418 4. 06018 1 .96653 2 . 4462

4. 10999 1 .96754 960

970 2 .34421 3.98875 1 .96498 2 .38704 4.03981 1 .96610 2 .42898 4. 08960 1 .96713 970

980 2 .32736 3.96860 1 .96453 2 .37010 4. 01964 1 . 96566 2 .41196 4. 06942 1 .96672 980

990 2 .31071 3.94866 1 .96406 2 .35337 3.99969 1 .96323 2 .39515 4. 04946 1 .96630 990

1000 2 .29427 3.92892 1 .96360 2 . 33684 3. 97994 1 .96478 2 .37854 4. 02970 1 .96588 1000

1010 2 .27802 3.90938 1 .96313 2 .32051 3. 96039 1 .96434 2 .36213 4. 01014 1 .96546 1010

1020 2 .26196 3.89005 1 .96265 2 . 30437 3.94104 1 .96389 2 .34591 3. 99078 1 .96503 1020

1030 2.24610 3.87090 1 .96217 2 .28841 3.92188 1 .96343 2 .32988 3. 97161 1 .96459 1030

1040 2 .23041 3.85194 1 .96169 2 .27265 3.90292 1 .96297 2 .31403 3. 95263 1 .96416 1040

1050 2 .21491 3.83317 1 .96120 2 .25706 3.88413 1 .96251 2 .29836 3. 93384 1 .96372 1050

1060 2 .19959 3.81459 1 .96071 2.24165 3.86553 1 .96204 2 .28287 3. 91522 1 .96327 1060

1070 2 .18444 3.79618 1 .96021 2 .22642 3.84711 1 .96157 2 .26756 3. 89679 1 .96282 1070

1080 2 . 16946 3.77795 1 .95971 2.21136 3.82887 1 .96109 2 .25242 3. 87854 1 .96237 1080

1090 2 .15465 3.75989 1 .95920 2 .19647 3.81080 1 .96061 2 .23745 3. 86045 1 .96191 1090

222
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

V -(fo-e°)/t s° c° -(f°-e°)/t s° c° -(f°-e°)/t s°

^

U P

f I) cm

3oUU • r —

1 — 3 V U U . 1 — *» UUU .

1100 2 . 14001 3. 742C0 1 . 95869 2 .18174 3. 79289 I .96012 2 .22264 3. 84254 1.96145 1100

1110 2 . 125b2 3. 72427 1 .95818 2 .16717 3. 7 7516 1 .95963 2 .20799 3. 82479 1X • q7 AO nQft U 7 O 1110

i I <iU • 1 i i ^lU 5 m 7 n A 7 1

f U O f 1

11 Q C: 7 A A . 7 t) f O O A

1 7 7 A • IDA / O

'27 • 7 7 c; ft f 7 f 7 O

1i q c O 1 A • 7 7 7 i *t 2 . 19351 3 • Q n 7 7 n o U f A U

1X * q7 OAnU S7 X1 T 1 7 n 1 1 aU

no 7 M "X D m A Q O "3 1 O o V J L

1i Q c; 7 1 "X oC1 3 O C 1 • L 7 O 7 i

•35 • 7 A 1 7 q c a A A . 7 7 oO * 2 .17918 73 • 7 ft q 7 ft

1 07 f o 1 .96004 1 1 3U

n fl fi 9 • U o 3 U 4^ ^ • AO7 9n 7 f f 1i • Q7 !3 AOAOnU

oA

1 P A A P

-37 . I £. C.^ C,

1L • QK7 7 ftO 1

1 A*T 2 . 165C0 37 • 7 7 7 S 1

f r A 7 i 1 .95956 1 1 AH

1150 2 .06915 3. 65499 1 .95607 2 . 1 1047 3. 70582 1 .95763 2 .15097 3. 75540 1X . 95908 1150

1160 2 .05544 3. 63805 1 . 95553 2 .09667 3. 68387 1 .95712 2 .13710 3. 73844 1X . 95859 1160

1 1 7n C. • U*i loo ^ . Aoctet P 1 P 7 L . 7 1> AOH 7 Q7 2 .08302 D . ^ 7 ? n 7 I .95660 2 .12336 -I 71 A? 1I AO ^J 1X . 7 ^ O X V7 1X 1X 701

1 I fln 1 1 C3 u C • nU t9 wo AH A*T J « O U H O 5

1L • Q7 RI> A*t*TA AH 2 .06951 1

J . A t; K A, o

1 .95608 2 . 10977 -1J . f l^H 7 1 1 .95760 1X

1X HDo u

c. f

\ 1 c 1 c

• U 1 Z? 1 3^ . ^ ft ft 1 A 1 . Q7 RU J Oft Q7 2 .05614 aJ . A -5 Q Q T O .7 'D 7 1 . 95556 2 .09633 -7 . A a Q A. R 1 .95711 X X 7VJ

1200 2 .00200 3. 57179 1 .95333 2 .04290 3. 62256 1 .95503 2.08302 3. 67207 1X QS66n 1200

1210 1 .98898 3. 55559 1 .9527/ 2 .02981 3. 60633 1 .95450 2 .06984 3. 65584 1X . 7 _J O X \J 1210

L c. 11 • 7 f O L U U 5 7 D A

11 Q c; P 7 1 . 7 7 A A 1 2 .01684 7 « q f~i 7 A 7 7 U A D 1 .95396 2 .05680 73 « A7 Q7 A 1X . y J J J ^ X A A u

1i • 7 o 5 J ;> c ;> -> A

-1J

cJ Oq • Q*^ 7711 AAOS- 2 .00401 7J .t;7 7f A7*+ 7 nU 1 .95342 2 .04389 73 . A 7 77 Q O A 3 f O 1 .95507 X A 3U

Q c n 7 ^ ^ . s n 7 7 A 11 • q7 7

11 nU 7/ 1.99131 7

J . S7 ^7 ft Aft 0*r O 1 .95287 2.03111 73 « AOUn 7Qf 7 7 1 .95455 X

1 AP4.n *rU

1250 1 .93824 3. 49211 1 .95049 1 .97873 3. 54280 1.95232 2 .01846 3. 59225 1 . 95403 1250

1260 1 .92587 3. 47657 1 .94990 1 .96628 3. 52725 1 .95177 2 .00593 3. 57668 1X . ^ J D J\J 1260

L . 7 X 3 O t. a T D X X U 1X QAQ3 P . 7 ^ 7 J ^ 1 .95396 •a . ^ 1 X o ^ 1 .95121 1 .99352 3. 56124 1X X A 1

1. £. V

1L QO 1 s n ^ . 44587 1X . 7*T O 1 J 1 .94175 4Q6S 7 tJ J C.7 1 .95065 1 .98124 3. 54593 1 .95243 X1 APROO U

1 ?C)0 IX •007^7 ^ J W # X

1

1. . 7 O X J 1 .92966 J AO 1

-1 A 1 .95008 1 .96907 3. 53074 1 .95190 X A 7U

1300 1 .87760 3. 41567 1 .94753 1 .91769 3. 46628 1 .94951 1 .95703 3. 51567 1 .95135 1300

1310 1 .86583 3. 40075 1 .94693 1 .90584 3. 45135 1 .94894 1 .94510 3. 50071 1 .95081 1310

1X ^^ ^p nu \ Q C A 1 7 J . J O -? 7 u

1i q A A ^ 7

. 7 *tO 7 A 1 .89410 7 . A^HjOA^7 ^7 1 .94836 1 .93328 3. 48588 1 .95025 1 3 AU

1 X . O A

-aJ . ^ 1 i. A U1

i. « 7** ^ 1 V 1 .88247 77 . 47•T A 11 ftO 7^ 1 .94778 1 .92157 3.47116 1 .94970

1 ^HU 11 « O ^ 1 1 o ^ « ^3 ^-> AOOAQ7

1I . QA^nft 7HZ3UO 1 .87095 37 « AHHU 10 Im. f A H 1 .94719 I .90997 3. 45656 1 .94914 J. 3*tU

1350 1 .81985 3. 34223 1 .94446 I .85954 3. 39276 1 .94660 1 .89849 3. 44207 1 .94858 1350

1360 1 .80863 3. 32788 1 .94384 1 .84823 3. 37840 1 .94600 1 .88711 3. 42 769 1 .94801 1360

1 ^7f\ 1i 7Q 7 ^ 1 1i Q A 1 7 n . 7H 3 A U 1 .83703 730HA A 11 D 1 .94540 1 .87583 3. 41342 1 .94744 1 a "7 A I 3 f 0

^ "XSiCi 1 7Q AA Q Q Q 1

<1 V 7 D X

1L Q A 7 *^ 7 . 7*t A :> f 1 .82594 J 7 7 UUU 1 .94480 1 .86466 3. 39926 1 .94686 1 3oU

1 1 77 C (C Q • 1 # 5 D y « 0 Q A Q 1 1 .81495 i .

"3 '3 C O A 77 770 1 .94419 1 .85359 3. 38521 1 .94629 1 390

1400 1 .76477 3. 27157 1 .94129 1 .80405 3. 32202 1 .94358 1 .84262 3. 37126 1.94570 1400

1410 I .75405 3. 25775 1 . 94064 1 .79326 3. 30819 1 .94296 1 .83175 3. 35741 1 .94512 1410

L *t-^U

1i 7 A "2 A A 3 . A*»H U*fr 1 Q "3 o a o

1 .78256 3 . 1 .94234 1 .82098 3. 34367 1 .94452 1 A o r\ xhaO

A** 3U 1i 7 1 ^ Q "5 • f J A 7 A

a

. 7 "1 AA 1 11 1 .77197 i • o n o /. 1 .94172 1 .81030 3. 33002 1 .94393

1L 7 7 7 A Q . / A A HV a

:^ . 7 1 A Q 7 A 1 07 A

1i O fl A "7 . y J OO f 1 .76146 3 . o A 7 "a 1 <l6 » 3 1 1 .94109 1 .79972 3. 31648 1 .94333

1450 1 .71216 3. 20350 1 .93800 1.75105 3. 25388 1 .94045 1 .78924 3. 30303 1 .94273 1450

1460 1 .70192 3. 19019 1 .93733 1 .74073 3. 24054 1 .93982 1 .77884 3. 28968 1 .94212 1460

f U 1 AQ 1 7 7 • OV Iff ^ .

1 7 A O A 1 f 070 i O 7 A A 1 .73050 3. "3 O 7 A AA 1 30 1 .93917 1 .76854 3. 27643 1 .94151 1 A "7 r\ 1h 1 0

1 A Q n X A ft 1 7 •> . OO 1 f A 3 •1 A '3 Q A I o3 o*f i O 7 R a u . 7 7 D 70 1 .72037 3 . 7 1 A. 1 A A I 't-l O 1 .93853 1 .75833 3. 26327 1 .94090 1 A o n

1 AO n 1 .67175 Dm 1 c n Q n 1 O 7 C 7 Q . y 7 DA7 1 .71032 3 . 7 O 1 1 1 AU 1 i 1 I .93788 1 .74820 3. 25020 1 .94028 1 A Q A iH9U

11 ?Ronu u 1 .66186 ^ .

1 ^ 7 ft A 1 :5 f OO 1 . O7 77*frDU A AH 1 .70036 3 .

1 Q Q 1 C

1 O O i 7 1 .93723 1 .73817 3. 23722 1 .93966

1510 1 .65207 3. 12501 1 .93391 1 .69048 3. 17528 1 .93657 1 .72822 3. 22434 1 .93903 1510

1520 1 .64235 3. 11224 1 .93322 1 .68069 3. 16250 1.93591 1 .71835 3. 21154 1 .93840 1520

1530 1 .63272 3. 09957 1 .93252 1 .67098 3. 14980 1 .93524 1 .70857 3. 19883 1.93777 1530

1540 1 .62318 3. 08698 1 .93181 1 .66136 3. 13720 1 .93457 1 .69887 3. 18621 1 .93713 1540

1550 1 .61371 3. 07448 1 .93110 1 .65182 3. 12468 1 .93390 1 .68925 3. 17367 1 .93648 1550

1560 1 .60433 3. 06206 1 .93039 1 .64235 3. 11224 1 .93322 1 .67971 3. 16122 1 .93584 1560

1570 1.59502 3. 04973 I .92967 1 .63297 3. 09989 1 .93253 1 .67026 3. 14885 1 .93519 1570

1580 1 .58580 3. 03748 1 .92895 1 .62367 3. 08763 1 .93185 1 .66088 3. 13657 1 .93454 1580

1590 1 .57665 3. 02531 1 .92822 1 .61444 3. 07544 1 .93116 1 .65158 3. 12437 1 .93388 1590

c°

p cm

V

-1

223
i

Table II Harmonic Oscillator Contributions to the Thermodynamic

j Functions (in units of calories, moles, and °K) i

V

-1 en

_(Fo_Eo)/t S° C°

r* -(F°-Eo)/T S° C°

p

-(f°-e°)/t 3° C°

nXT V

-1 cm

T = 380C. T = 3900. T= 4000.

1600 1. 56757 3. 01323 1 .92749 1.60529 3. 06333 1 .93046 1.64235 3. 11224 1 .93322 1600

1610 1. 55858 3. 00122 1 .92676 1.59621 3. 05131 1 .92976 1.63320 3. 10020 1 .93255 1610

1620 1. 54965 2. 98929 1 .92602 1 .58721 3. 03936 1 .92906 1.62413 3. 08824 1 .93188 1620

1630 I. 54080 2. 97744 I .92528 1.57828 3. 02 749 1 .92835 1.61513 3. 07635 1 .93121 1630

1640 1. 53203 2. 96567 1 .92453 1.56943 3. 01570 I .92764 1.60620 3. 06454 1 .93053 1640

1650 1 . 52332 2 .95397 1 .92378 1 .56065 3. 00398 1 .92693 1.59734 3. 05281 1 .92985 1650

1660 1 .51468 2 .94235 1 .92302 I .55193 2. 99234 1 .92621 1.58856 3. 04115 1 .92917 1660

1670 1 .50612 2 .93080 1 . 92226 1 .54329 2. 96078 1 .92549 1.57984 3. 02956 1 .92848 1670

1680 1 .49762 2 .91933 L -'^2150 1 .53472 2 . 96928 1 . 92476 1.57119 3. 01805 1 .92779 1680

1690 I .48919 2 .90793 1 .92073 1 .52621 2. 95786 I .92403 1.56262 3. 00661 1 .92709 1690

1700 1 .48083 2 . 89660 1 .91996 1 .51778 2. 94651 1 .92329 1.55411 2. 99525 1 .92639 1700

1710 1 .47254 2 .88534 1 .91918 1 .50940 2. 93523 1 .92256 1.54566 2. 98395 1 .92569 1710

1720 1 .46431 2 .87415 1 .91840 1 .50110 2. 92403 1 .92181 1.53728 2. 97272 1 .92498 1720

1730 1 .45614 2 .86303 1 .91762 1 . 49286 2. 91289 1 .92 107 1.52897 2. 96157 1 .92427 1730

1740 1 .44804 2 .85198 1 .91683 1 .48468 2. 90182 1 .92032 1.52072 2. 95048 1 .92355 1740

1750 1 .4400 1 2 .84100 1 .91603 1 .47657 2. 89082 1 .91956 1.51254 2.93946 1 .92283 1750

1760 1 .43203 2 .83008 1 .91524 1 .46852 2. 87988 1 .91880 1.50441 2. 92850 1 .92211 1760

1770 1 .42412 2 .81923 1 .91443 1 .46053 2. 86901 1 .91804 1.49635 2. 91761 1 .92138 1770

1 780 I .41627 2 .80845 1 .91363 1 .45260 2. 8582 1 1 .91727 1.48835 2. 90679 1.92065 1780

1790 1 .40848 2 .79773 1 .91282 1 .44474 2. 84747 1 .91650 1.48042 2. 89603 1 .91992 1790

1800 1 .40074 2 .78708 1 .91201 1 .43693 2. 83679 1 .91573 1.47254 2. 88534 1.91918 1800

1810 I .39307 2 .77649 1 .91119 1 .42918 2. 82618 1 .91495 1.46472 2. 87471 1 .91844 1810

1820 1 .38546 2 .76596 1 .91036 1 .42149 2. 81563 1 .91417 1.45696 2. 86414 1 .91769 1820

1830 1 .37790 2 .75550 1 .90954 1 .41386 2 . 80515 I .91338 1.44925 2. 85363 1 .91695 1830

1840 1 .37040 2 .74509 1 .90871 1 .40629 2. 79472 1 .91259 1.44161 2. 84319 1 .91619 1840

1850 1 .36296 2 . 73475 1 .90787 1 .39877 2. 78436 1 .91180 1.43402 2. 83281 1 .91544 1850

1860 1 .35557 2 .72447 1 .90704 1 .39131 2. 77405 1 .91100 1.42649 2. 82248 1 .91468 1860

1870 1 .34824 2 .71424 1 .90619 1 .38390 2. 76381 1 .91020 1.41901 2. 81222 1 .91391 1870

188 0 1 .34096 2 . 70408 1 .90535 1 .37655 2 . 75362 1 .90939 1.41158 2. 80201 1 .91314 1880

1890 1 .33374 2 .69397 1 .90450 1 .36925 2. 74350 1 .90858 1.40422 2. 79187 1 .91237 1890

1900 I . 32657 2 .68392 1 .90364 1 .36201 2. 73343 1 .90777 1.39690 2. 78178 1 .91160 1900

1910 1 .31945 2 .67393 1 .90278 1 .35482 2. 72341 1 .90695 1.38964 2. 77174 1 .91082 1910

1920 1 . 31238 2 .66400 1 .90192 1 .34768 2. 71346 1 .90613 1.38243 2. 76177 1 .91003 1920

1930 1 .30537 2 .65412 1 .90105 1 .34059 2. 70356 1 .90530 1.37527 2. 75185 1 .90925 1930

1940 1 .29841 2 .64430 1.90018 1 .33355 2. 69371 1 .90447 1.36816 2. 74198 1 .90846 1940

1950 1 .29149 2 .63453 1 .89931 1 .32657 2. 68392 1 .90364 1.36111 2. 73217 1 .90766 1950

1960 1 .28463 2 .62482 1 .89843 1 .31963 2. 67419 1 .90280 1.35410 2. 72242 1.90687 1960

1970 1 .27782 2 .61516 I .89754 1 .31274 2. 66451 1 .90196 1.34714 2. 71271 1 .90607 1970

1980 1 .27105 2 .60555 1 .89666 I .30591 2. 65488 1 .90112 1.34024 2. 70306 1 .90526 1980

1990 1.26434 2 .59600 1 .89577 1.29912 2. 64530 1 .90027 1.33338 2. 69347 1 .90445 1990

2000 1 .25767 2 .58650 1 .89487 I .29238 2. 63578 1.89942 1.32657 2. 68392 1 .90364 2000

2010 1 .25105 2 .57705 1 .89397 1 .28568 2. 62631 1 .89856 I. 31980 2. 67443 1 .90282 2010

2020 1.24448 2 .56766 I .89307 1 .27904 2. 61689 1 .89770 1.31309 2. 66499 1 .90200 2020

2030 1 .23795 2 .55831 1 .89216 1 .27244 2. 60752 1 .89684 1.30642 2. 65560 1.90118 2030

2040 1 .23147 2 .54901 1 .89125 1 .26588 2. 59820 1 .89597 1.29980 2. 64626 1 .90035 2040

2050 1 .22503 2 .53977 1 .89034 1 .25938 2. 58893 1.89510 1.29322 2. 63697 1 .89952 2050

2060 1 .21864 2 .53057 1 .88942 1 .25291 2. 57971 1 .89423 1.28669 2. 62773 1 .89869 2060

2070 1 .21229 2 .52142 1 .88849 1 .24649 2. 57054 1 .89335 1.28020 2. 61854 1 .89785 2070

2080 1 .20599 2 .51232 1 .88757 1 .24012 2. 56142 1 .89246 1.27375 2. 6093^ 1 .89701 2080

2090 1 . 19973 2 .50327 1 .88664 1 .23379 2. 55235 1.89158 1.26736 2. 60029 1 .89617 2090

224
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

y -(F°-Eo)/T SO C° -(F°-E°)/T S° C° -(F°-E°)/T S°

cm

T =3800. T= 3900. T =4000

2100 1 . 19352 2 .49427 1 .88570 1 .22750 2. 54332 1 . 89069 1 .26100 2 .59125 1 .89532 2100

2110 1 .18735 2 .48531 1 .88476 1 .22126 2. 53434 1 . 88979 1 .25469 2 .58224 1 .89447 2110

2120 1 .18122 2 .47641 1 .88382 1 .21506 2 . 52 541 1 . 88890 1 . 24842 2 .57329 1 . 89361 2120

2130 1 .17513 2 .46754 1 .88288 1 .20890 2 . 51652 1 a ci ct r\ r\ . 8 3 800 1 . 242 19 2 .56438 1 . 892 75 2 1 30

2 140 1 . 16908 2 .45873 1 .88193 1 .20278 2. 50 768 1 .88 709 1 . 2 3600 2 .55552 1 .89189 2140

2150 1 .16307 2 .44995 1 .88097 1 . 19670 2. 49888 1 .88618 1 .229H5 2 . 54670 1 .89102 2150

2160 1 .15711 2 .44123 1 .88002 1 .19066 2. 49013 1 . 88527 1 .22375 2 .;)3792 1 .89015 2160

2170 1 .15118 2 .43255 1 . 87905 1 . 1 8467 2 . 48143 1 .88435 1 .21 769 2 .52920 1 .88928 2170

2180 1 .145 30 2.42391 1 . 87809 1 . 17871 2

47276 1 . 88 344 1 .21166 2.52051 1 . 88840 2180

2190 1 . 13945 2 .41532 1 . 87712 1 . 17280 2 . 46415 1 . 88251 1 . 20568 2 .51187 1 .88752 2190

2200 1 .13365 2 .40677 1 .87615 1 .16692 2. 45557 1 . 88158 1 .19973 2 .50327 1 .88664 2200

2210 1 .12788 2 .39826 1 .87517 1 .16108 2. 44704 1 . 88065 1 . 19383 2 .49472 1 .88575 2210

2220 1 . 12215 2 .38980 1 .87419 1 .15528 2. 43 85 5 1 .87972 1 . 18796 2 .48621 1 .88486 2220

1 1 1 r\ 22 30 1 . 1 1646 2 .38138 1 .87320 1 .14952 2 . 43011 1 .87878 1 . 18213 2 .47774 1 . 88396 2230

2240 1 .11081 2 .37300 1 .87222 1 . 14380 2. 42 170 1 .87784 1 .17634 2 .46931 1 .88307 2240

2250 1 . 10519 2 .36466 1 .87122 1 . 13811 2. 41334 1 . 87689 1 .17059 2 .46093 1 .882 16 2250

2260 1 .09961 2 .35636 1 .87023 1 .13246 2. 40502 1 .87595 1 . 16487 2 .45258 1 .88126 2260

1 O ^ 22 f 0 1 . 09407 2 .34811 1 .86923 1 .12685 2. 39674 1 . 87499 1 . 15919 2 .44428 1 . 88035 2270

o o o ^2oU 1 .08856 2 .33989 1 .86822 I .12 127 2. 38850 1 . 87404 1 . 1 5355 2 .43601 1 . 87944 22 80

2Z90 1 . 08309 2 .33172 1 .86722 1 . 1 1573 2. 38030 1 . 87308 1 . 14794 2 .42779 1 .87852 2290

2300 1 .07766 2 .32359 1 .86621 1 .11023 2. 37214 1 .87211 1 . 14237 2.41961 1 .87760 2300

2310 1 .07226 2 .31549 1.86519 1 .10476 2. 36402 1 .87115 1 .13684 2.41146 1 .87668 2310

2320 1 .06689 2 .30744 1 .86417 1 . 09932 2. 35594 1 . 87018 1 .13134 2 .40336 1 . 87576 2320

23 30 1 .06156 2 .29942 1 .86315 1 . 09393 2. 34790 1 . 86920 1 .12587 2 .39529 1 .87483 2330

2340 1 .05627 2 .29145 1 .86212 1 .08856 2. 33989 1 . 86822 1 . 12044 2 .38727 1 . 87389 2340

2350 1 .05100 2 .28351 1 .86110 1 .08323 2. 33193 1 .86724 1 .11504 2 .37928 1 .87296 2350

2360 1 .04578 2.27561 1 . 86006 1 .07793 2. 32400 1 .86626 1 . 10968 2 .37133 1 .87202 2360

2370 1 .04058 2 .26774 1 .85902 1 .07267 2. 31611 1 . 86527 1 . 10435 2 .36341 1 .87107 2370

1 1 Q r\ 2380 1 .03542 2 .25992 1 .85798 1 . 06744 2. 30826 1 . 86428 1 .09905 2.35554 1 .87013 2380

2390 1 .03029 2 .25213 1 .85694 1 .06224 2. 30045 1 . 86328 1 .09379 2 .34770 1 .86918 2390

2400 1 .02520 2.24438 1 .85589 1 .05708 2. 29267 1 .86228 1.08856 2 .33989 1 .86822 2400

2410 1 .02013 2.23666 1 .85484 1 .05195 2. 28493 1 .86128 1 .08336 2 .33213 I .86727 2410

2420 1.01510 2 .22899 1 . 85378 1 .04685 2. 27722 I . 86027 1 .07820 2 . 32440 1 . 8663 1 2420

2430 1 .01010 2 .22134 1 .85273 1 .04178 2. 26955 1 . 85926 1 .07306 2 .31670 1 . 86534 2430

2440 1 .00513 2 .21374 1 .85166 1 .03674 2. 26192 1 .85825 1 .06796 2 .30905 1 .86438 2440

2450 1 .00019 2 .20617 1 .85060 1 .03174 2. 25432 1 .85723 1 .06289 2 .30142 1 .86341 2450

2460 0 .99529 2. 19863 1 .84953 1 .02676 2. 24676 1 .85621 1 .05785 2 .29383 1 .86243 2460

2470 0 .99041 2 .19113 1 .84845 1 .02182 2. 23923 1 .85519 1 .05284 2.28628 1 . 86146 2470

2480 0 .98556 2 .18366 1 .84738 1 .01690 2. 23174 1 . 85416 1 .04786 2 .27876 1 . 86048 2480

2490 0.98075 2 .17623 1 .84630 1 .01202 2. 22428 1 . 85313 1 .04292 2.27128 1 .85949 2490

2500 0 .97596 2 . 16883 1 .84521 1 .00717 2. 21685 1 . 85210 1 .03800 2 .26383 1 .85850 2500

2510 0 .97120 2 . 16147 1 .84412 1 .00234 2. 20946 1 .85106 1 .03311 2 .25641 1 .85751 2510

2520 0 .96648 2 .15414 1 .84303 0.99755 2. 20210 1 .85002 1 .02825 2 .24902 1 .85652 2520

2530 0 .96178 2 .14684 1 .84194 0.99278 2. 19478 1 .84898 1 .02342 2 .24167 1 .85552 2530

2540 0 .95711 2 .13958 1 .84084 0.98805 2. 18749 1 .84793 1 .01862 2 .23436 1 .85452 2540

2550 0 .95247 2 .13235 1 . 83974 0 .96334 2. 18023 1 .84688 1 .01385 2 .22707 1 .85352 2550

2560 0 .94786 2 .12515 1 .83863 0 .97866 2. 17300 1 . 84582 1 .00910 2 .21982 1 .85251 2560

2570 0 .94327 2 .11793 1 .83752 0.97401 2. 16581 1 .84477 1 .00439 2 .21260 1 .85150 2570

2580 0 .93871 2 .11085 1 .83641 0 .96938 2. 15865 1 .84370 0 .99970 2 .20541 1 .85049 2580

2590 0 .93418 2 .10375 I .83529 0.96479 2. 15152 1 .84264 0.99504 2 .19825 1 .84947 2590

c°

p cm

V

-1

225
era-1

Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

{f°-f,°)/t s° c°

p

-(f°-e°)/t s° c°

p -(F°-Eg)/T S° c°

p cm

T=380C. T = '3yoo.

2600 0. 92968 2. 09668 1. 83417 0.96022 2. 14442 I. 84157 0. 9904 1 2. 19113 1. 84845 2600

2610 0. 92521 2. 08964 1. 83305 0. 95568 2. 13735 1 . 84050 0. 98581 2. 18403 1. 84743 2610

2620 0. 92076 2. 08263 1. 83192 0. 95116 2. 13031 1. 83942 0. 98123 2. 17697 1. 84640 2620

2630 0. 91634 2. 07565 1. 83079 0. 94668 2. 1233 L 1 . 8 3635 0. 97668 2. 16994 I. 84537 2630

2640 0. 91 194 2. 06871 1. 82966 0. 94222 2. 11633 1. 8 3 7 2 6 0. 97215 2. 16294 1. 84434 2640

2650 0. 90757 2 .06179 1, 82852 0. 93778 2. 10939 1. 83618 0. 96766 2. 15597 1 .84330 2650

2660 0. 90323 2 .05491 1. 82738 0. 93337 2. 10248 1 . 83509 0. 96319 2. 14903 1 .84227 2660

2670 0. 39892 2 .04805 1. B2624 0. 92899 2. 09559 1. 83400 0. 958/4 2. 14212 1 .84122 2670

2680 0. 89462 2 .04123 1. 82509 0. 92464 2. 08874 1.83290 0. 95432 2. 13524 1 .84018 2680

2690 0. 89036 2 .03443 1. 82394 0. 92030 2. 08191 1. 831.-31 0. 94993 2. 12838 1 .03913 2690

2700 0. 88612 2 .02767 1. 82278 0. 91600 2. 07512 1. 83071 0. 94556 2. 12156 1 . 83808 2700

2710 0. 88190 2 .02093 1. 82163 0. 91 172 2. 06835 1. 82960 0. 94122 2. 11477 I. 83702 2710

2720 0. 87771 2 .01422 1. 82047 0. 90746 2. 06162 1. 82849 0. 93690 2. 10800 1. 83596 2720

2730 0. 87355 2 .00754 1. 81930 0. 90323 2. 05491 1 . 82738 0. 93261 2. 10127 1. 8 3490 2730

2740 0. 86940 2 .00089 1. 81813 0. 89903 2. 04023 1. 3262 7 0.92834 2. 09456 1. 83384 2740

2750 0.86529 1 .99427 1. 81696 0. 89464 2. 04158 1. 825 15 0. 92409 2. 08780 1. 83277 2750

2760 0. 86119 1 .98768 1. 81579 0. 89069 2. 03495 1. 82403 0. 91987 2. 08123 1 . 83170 2760

2770 0. 85712 1 .98112 1. 81461 0. 88655 2. 0283b 1. 82290 0.91568 2. 07461 1. 83062 2770

2780 0. 85308 1 .97458 1. 81343 0. 88244 2. 02179 1. 82178 0. 91150 2. 06801 1. 82955 2780

2790 0. 84905 1 .96807 1. 81224 0. 87835 2. 01525 1. 82064 0. 90736 2. 06145 1. 82846 2790

2800 0. 84506 1 .96159 1. 81106 0. 87429 2. 00874 1. 81951 0. 90323 2.05491 1 .82738 2800

2810 0. 84108 1 .95513 1. 80987 0. 87025 2. 00226 1. 81B37 0. 89913 2.04839 1 .82629 2810

2820 0. 83713 I .94871 1. 80867 0. 86623 1. 99580 1. 81723 c. 89505 2.04191 1 .82520 2820

2830 0. 83320 1 .94230 L. 80747 0. 86224 1. 98937 1. 81609 0. 89100 2.03545 1 .82411 2830

2840 0. 82929 1 .93593 I. 80627 0. 85827 1. 98296 1. 81494 0. 88696 2.02902 1 .82302 2840

2850 0. 82540 1. 92958 1. 80507 0. 85432 1. 97659 1. 81379 0. 88295 2. 02261 I. 82192 2850

2860 0. 82154 1. 92326 1. 80386 0. 85039 1. 97024 1. 81264 0. 87897 2. 01623 1. 02081 2860

2870 0. 81770 1. 91697 1. 80265 0. 84649 1. 96391 I. 81 143 0. 87500 2. 00988 1. 8 1971 2870

2880 0. 81388 1. 91070 1. 80143 0. 84261 1. 95 /61 1. 81032 0. 87106 2. 00355 I. S I860 2880

2890 0. 81008 1. 90446 1. 80022 0. 83875 1. 95134 1. 80916 0. 86714 1. 99725 1. 81749 2890

2900 0. 80631 1. 89824 1. 79900 0. 83491 1. 94509 1. 80800 0. 86324 1. 9909 7 1. 81638 2900

2910 0. 80255 1. 89205 1. 79777 0. 83109 1. 93887 1. 80683 0. 85936 1. 98472 1 . 81526 2910

2920 0. 79882 1. 88589 1. 79655 0. 82729 1. 93267 1. 80565 0. 85550 1. 97850 1. 01414 2920

2930 0. 79510 1. 87975 1. 79532 0. 82352 1. 92650 1. 80448 0. 85167 1. 972 30 1

81301 2930

2940 0. 79141 1. 87363 1. 79408 0. 81976 1. 92036 1. 80330 0. 84785 1. 96612 I. 81 109 2940

2950 0.78774 I. 86754 1. 79285 0. 81603 1. 91423 1 .80212 0. 84406 1 .95997 1 .81076 2950

2960 0.78409 1. 86148 1. 79161 0. 81232 1. 90014 1 . 80094 0. 84029 1 .95384 I . 80963 2960

2970 0.78046 1. 85544 1. 79036 0. 80863 1. 90207 1 .79975 0. 83654 1 .94774 I .80849 2970

2980 0.77685 1. 84942 1. 78912 0. 80496 1. 89602 1 .79856 0. 83200 1 .94167 1 •80735 2980

2990 0.77326 1. 84343 1. 78787 0. 80130 1. 89000 1 .79736 0. 82909 1 .93561 I .80621 2990

3000 0. 76970 1 .83746 1. 78662 0. 79767 1 . 88400 1. 79617 0.82540 1 .92958 1 . 00507 3000

3010 0. 76615 1 .83152 1. 78536 0.79406 1 .87802 1. 79497 0.82173 1 .92358 1 .80392 3010

3020 0. 76262 1 .82560 1. 78410 0. 79047 1 .87207 1. 79377 0.81808 1 .91760 1 .80277 3020

3030 d. 75911 1 .81970 1. 78284 0. 78690 1 .86614 1. 79256 0.81445 1 .91164 1 .30162 3030

3040 0. 75562 I .81383 1- 78157 0.78335 1 .86024 1. 79135 0.81084 1 .90571 1 .80046 3040

3050 0. 75214 1 .80798 1. 78031 0. 77981 1 .85436 1. 79014 0.80725 1 .89980 I .79930 3050

3060 0. 74869 1 .80216 1. 77904 0. 77630 1 . 84850 I. 78893 0.80367 I .0939 1 I . 79814 3060

3070 0. 74526 1 .79636 1. 77776 0. 77281 1 .84266 1. 78771 0.80012 1 .88804 1 .79698 3070

3080 0. 74184 1.'79058 1. 77648 0. 76933 1 .83685 1. 70649 0.79659 1 .88220 1 .79581 3080

3090 0. 73845 1 .78482 1. 77520 0. 76587 1 .83106 1. 78526 0.79307 1 .87638 1 .79464 3090

226
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

V

_1 cm

_(Fc'-e°)/t

0

T=

S°

3800.

c°

p

-(F°-e°)/t

T=

s°

3900.

c°

p -(F°-e°)/t

0

T =

s°

4000.

C°

P V

-1 cm

n 1 J u 1

1

Jl •

1X • 77'^Q? 0.76244 1X . 82 530 L • 73404 0. 78958 X . 87059 1X . 79346 3100

n 11 « 1 1 J J 0 1 1 r t. 0 ^ 0. 75902 1. • 819 5 5 1X .. 7828 I 0

78610 1X . 8648 1 I .79229 J3110 X X nu • 1 £i 0 J 1 1

i. • 7A7AQ I

i. • 77 1 3S 0. 75562 IL . 81 383 1X .. 78157 0

78264 I . 8 590 6 I . 79 111 31 20

n 1 £. J \J J

1

1. • 1 \J C \J c

1

1. • 77005 0. 75223 I . 808 1

. 78034 0 . 77920 I . 85333 I . 78993 3130

7? 1 7S 1 7 1; A J a r ^ 0 J 0

11 • 1 u 0 f 0 0. 74887 X . 80246 X . 77910 0. 77578 I , B4762 \ . 78874 3140

3150 0. 718A6 1. 75075 I. 0. 74552 1. 79680 1. 77786 0. 77237 1. 84194 1 .78756 3150

3160 0. 71519 1. 74515 1. 76616 0. 74219 1. 79117 I. 77662 0. 76898 1. 83627 1 .78636 3160

3170 0. 71194 1. 73958 1. 76485 0. 73888 1. 78556 1. 77537 0. 76562 1. 8 306 3 I .78517 3170

3180 0. 70871 1. 73402 1. 76355 0. 73559 1. 77997 1. 77412 0. 76226 1. 82501 I . 78398 3180

3190 0. 70549 1. 72848 1. 76224 0. 73231 1. 77440 1. 77287 0.75893 1. 81941 1 .78278 3190

3200 0 .70230 1 .72297 I .76092 0. 72906 1 .76885 1 .77161 0. 75562 1 .81383 1 .78157 3200

3210 0 .69911 1 .71748 1 .75961 0. 72582 1 .76333 1 .77035 0. 75232 1 .80828 1 .78037 3210

3220 0.69595 1 .71201 1 .75829 0. 72259 1 .75782 1 .76909 0. 74904 1 .80274 1 .77916 3220

3230 0 .69280 1 .70656 1 .75697 0. 71939 1 . 75234 1 .76783 0. 74577 1.79722 1 .77795 3230

3240 0 .68967 1 .70113 1 .75564 0. 71620 1 .74688 I .76656 0. 74253 1 .79173 1 .77674 3240

3250 0 .68656 1 .69572 1 .75431 0.71302 1 .74143 1 .76529 0. 73930 1 .78626 1 .77552 3250

3260 0 .68346 1 .69033 1 .75298 0. 70987 1 .73601 I .76402 0. 73608 1 .78080 1 .77431 3260

3270 0 .68038 1 .68497 1 .75165 0. 70673 1 .73061 1 . 76274 0. 73289 1 .77537 1 .77309 3270

3280 0 .67732 1 .67962 1 .75031 0. 70361 1 .72523 I . 76146 0. 72971 1 .76996 1 .77186 3280

3290 0 .67427 1 .67429 1 .74898 0. 70050 1 .71987 1 .76018 0. 72654 1 .76457 1 .77064 3290

3300 0 .67124 1 .66899 I .74763 0.69741 1 .71453 1 .75890 0. 72340 1 .75920 1 .76941 3300

3310 0 .66822 1 .66370 1 .74629 0. 69433 1 .70921 1 . 75761 0. 72027 1 .75384 1 .76817 3310

3320 0 .66522 1 .65844 1 .74494 0. 69128 1 .70391 1 . 75632 0. 71715 1 .74851 1 .76694 3320

3330 0 .66224 1 .65319 1 .74359 0.68823 1 .69863 1 .75503 0. 71405 1 .74320 1 .76570 3330

3340 0 .65927 1 .64796 1 .74224 0. 68521 1 .69337 1 .75374 0. 71097 1 .73791 1.76446 3340

3350 0 .65632 1 .64276 1 .74088 0. 68220 1 .68813 1 .75244 0. 70790 1 .73263 1 .76322 3350

3360 0 .65338 1 .63757 1 .73952 0. 67920 1 .68291 1 .75114 0. 70485 1 .72738 1 .76197 3360

3370 0.65046 1 .63240 1.73816 0. 67622 1 .67770 1 .74983 0. 70182 1 .72215 1 .76073 3370

3380 0 .64756 1 .62725 1 .73680 0. 67326 1.67252 1 .74853 0. 69880 I .71693 1 .75948 3380

3390 0 .64467 1 .62213 1 .73543 0. 67031 1 .66736 1 .74722 0. 69579 1 .71173 1 . 75822 3390

3400 0 .64179 1.61702 1 .73406 0.66738 1 .66221 1 .74591 0. 69280 1 .70656 1 .75697 3400

3410 0.63893 I .61193 1 .73269 0. 66446 1 .65709 1 .74459 0. 68983 1 .70140 1 .75571 3410

3420 0 .63608 1 .60685 1 .73131 0.66155 1.65198 1 .74328 0. 68687 1.69626 1 .75445 3420

3430 0 .63325 1 .60180 1 .72993 0. 65867 1 .64689 1 .74196 0. 68393 1 .69114 1 .75318 3430

3440 0.63044 1 .59677 1 .72855 0. 65579 1 .64182 1 .74064 0. 68100 1 .68604 1 .75192 3440

3450 0 .62763 1 .59175 1 .72717 0. 65293 1 .63677 1 .73931 0. 67808 1 .68095 1 .75065 3450

3460 0 .62485 1 .58675 1 .72578 0. 65009 1 .63174 1 .73799 0. 67518 1 .67589 1 .74938 3460

3470 0 .62207 1 .58178 1 .72439 0. 64726 1 .62673 1 .73666 0. 67230 1 .67084 1 .74810 3470

3480 0 .61931 1 .57681 1 .72300 0. 64444 1 .62173 1 .73532 0.66943 1 .66581 1 .74683 3480

3490 0 .61657 1 .57187 I .72161 0. 64164 1 .61675 1 .73399 0. 66657 1 .66080 1 .74555 3490

3500 0 .61384 1 .56695 1 .72021 0. 63886 1 .61180 1 .73265 0. 66373 1 .65581 1 .74427 3500

3510 0 .61112 1 .56204 1 .71881 0. 63608 1 .60685 1.73131 0.66090 1 .65084 1 .74298 3510

3520 0 .60842 1 .55716 1 .71741 0.63332 1 .60193 1 .72997 0. 65809 1 .64588 1 .74169 3520

3530 0 .60573 1 .55229 1 .71600 0. 63058 I .59702 1 .72862 0. 65529 1 .64094 1 .74041 3530

3540 0 .60306 1 .54743 1 .71460 0. 62785 1 .59214 1 .72728 0. 65251 1 .63602 1 .73911 3540

3550 0 .60040 1 .54260 1 .71319 0. 62513 1 .58727 1 .72592 0. 64973 1 .63111 1 .73782 3550

3560 0 .59775 1 .53778 1 .71177 0. 62243 1 .58241 1 .72457 0. 64698 1 .62623 1 .73652 3560

3570 0 .59512 1 .53298 1 .71036 0. 61974 1 . 57758 1 .72322 0. 64423 1 .62136 1 .73522 3570

3580 0 .59250 1 .52820 1 .70894 0. 61706 1 .57276 1 .72186 0. 64150 1 .61651 1 .73392 3580

3590 0 .58989 1 .52343 1 .70752 0.61440 1 .56796 1 .72050 0. 63879 1 .61167 1 .73262 3590

227

I

I
I

Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

i> -(f°-e°)/t s° c° -(fo-e°)/t s° c° -(f°-e°)/t s° ^

U P^ r' (J cm

i

T1 — 1 a r\ r\ = joUUT —

1 - T =4000.

3600 0. 58730 I .51869 1 .70610 0. 61175 1. 56317 1. 71913 0.63608 1 .60685 1 .73131 3600

3610 0. 58A71 1 .51396 I .70467 0. 60911 1. 55841 1. 71777 0.63339 1 .60205 1 .73000 3610

3620 0. 58215 I .50924 1 .70325 0. 60649 1. 55366 1. 71640 0.63072 1 .59727 1 .72869 3620

3630 0. 57959 1 .50455 1 .70182 0. 60388 1. 54892 1. 71503 0.62805 1 .59250 1 .72738 3630

3640 0. 57705 1 .49987 1 .70038 0. 60128 I. 54421 1. 71366 0.62540 1.58775 1 .72606 3640

3650 0. 57452 1 .49520 1 .69895 0. 59870 1. 53951 1. 71228 0.62277 1 .58302 1 .72474 3650

3660 0. 57201 I .49056 1 .69751 0. 59613 1. 53483 1. 71090 0.62014 1 .57830 1 .72342 3660

3670 0. 56950 I .48593 1 .69607 0. 59357 1. 53016 I. 70952 0.61753 1 .57360 1 .72210 3670

3680 0. 56701 1 .48131 1 .69463 0. 59102 1. 52551 1. 70814 0.61493 1 .56892 1 .72077 3680

3690 0. 56453 1.47672 1 .69318 0.58849 1. 52088 1. 70676 0.61234 1 .56425 1 .71944 3690

p

0 .56207 1 ^ 7 7 1 ^. 1 fiQ 1 T'^ 0. 58597 1 .51626 1 .70537 0. 60977 1i. . J J 7 O \J 1 .71811

0 .55961 1 A i. 7 c 7 i . O

0. 58346 1.51166 1 .70398 0. 60721 1L . J J ^ y o 1 .71678 7 1 n

0 .55717 1 » HO DU c. 1 . AO no Q A u 0 ^ 0. 58097 1 .50707 1 .70259 0.60466 11 . J 3 U J t 1 .71544

3730 0 .55474 1 .45849 1 .68738 0. 57848 1 .50250 1 .70119 0. 60213 I .54574 1 .71410 3730

3740 0 .55233 1 .45398 1 .68592 0. 57601 1 .49795 1 .69979 0. 59960 1 .54115 1 .71276 3740

"^7^0 0 .54992 11 • AA.Q *T*t 7 A*T AO 1 A A AAA 0.57355 1.49341 1 .69839 0. 59709 1 .53658 1 .71142

V^7^n 1 o u 0 .54753 1L • H H *T 7 ^ 1 • Ao Ao "^nn ^ u u 0. 57111 1 .48889 1 .69699 0. 59459 1 .53202 1 .71008 ^7J 1 AnOKI 0 .54515 11 A A n c o

• HHVO £. 1i A A 1 c; ^ 0. 56867 1 .48439 1 .69559 0. 59210 1 .52748 1 .70873 77n

0 .54278 11

1

J. A A Dfl 7 0. 56625 1 .47990 1 .69418 0.58963 1 .52296 1 .70738

3790 0 .54042 1 .43164 1 .67860 0.56384 1 .47542 1 .69277 0. 58717 1 .51845 1 .70603 3790

3800 0 . 53808 1 .42721 1 .67713 0. 56144 1 .47096 1 .69136 0. 58471 I .51396 1 .70467 3800

3810 0 .53574 1 .42281 1 .67565 0. 55905 1 .46652 1 .68995 0. 58228 1 .50948 1 .70332 3810

3820 0 .53342 1 .41842 1 .67418 0. 55667 1 .46209 1 .68853 0. 57985 1 .50501 1 .70196 3820

3830 0 .53111 1 .41404 1 .67270 0.55431 1 .45768 1.68712 0. 57743 1 .50057 1 .70060 3830

3840 0 .52881 1 .40968 1 .67122 0. 55196 1 .45328 1 .68569 0. 57503 1 .49613 1.69923 3840

3850 0 .52652 1 .40534 1 .66973 0.54962 1 .44890 1.68427 0. 57263 1 .49172 I .69787 3850

3860 0 .52424 1 .401C1 1 .66825 0. 54729 1 .44453 1 .68285 0.57025 1 .48731 1 .69650 3860

3870 0 .52198 1 .39669 1 .66676 0. 54497 1 .44018 1 .68142 0. 56788 1 .48293 1 .69513 3870

3880 0.51972 1 .39240 1 .66527 0. 54266 1 .43584 1 .67999 0. 56552 1 .47855 1 .69376 3880

3890 0 .51748 1 .38811 1 .66378 0. 54036 1 .43152 1 .67856 0. 56318 1 .47420 1.69239 3890

3900 0 .51525 1 .38384 1 .66228 0.53808 I .42721 1 .67713 0. 56084 1 .46985 1.69101 3900

3910 0 .51303 1 .37959 1 .66079 0. 53580 1 .42292 1 .67569 0.55851 I .46552 1 .68963 3910

3920 0 .51082 1 .37535 1 .65929 0. 53354 I .41864 1 .67425 0.55620 1 .46121 1 .68825 3920

3930 0.50861 1 .37112 1 .65779 0.53129 1 .41438 1 .67281 0. 55390 1 .45691 1 .68687 3930

3940 0 .50643 1 .36691 1 .65628 0.52904 1.41013 1 .67137 0.55160 1 .45262 1 .68548 3940

3950 0 .50425 1 . 36271 1 .65478 0. 52681 1 .40589 1 .66992 0. 54932 1 .44835 1 .68409 3950

3960 0 .50208 1 .35853 1 .65327 0. 52459 1 .40167 1 .66848 0. 54705 1.44410 1.68270 3960

3970 0 .49992 1 .35436 1 .65176 0. 52238 1 .39747 1 .66703 0. 54479 1 .43986 1 .68131 3970

3980 0 .49777 1 .35021 1 .65025 0.52019 1 .39328 1 .66558 0. 54254 1 .43563 1 .67992 3980

3990 0 .49564 1 .34607 1 .64874 0. 51800 1 .38910 1 .66412 0. 54030 1 .43141 1 .67852 3990

4000 0.49351 1.34195 1.64722 0.51582 1.38493 1.66267 0.53808 1.42721 1.67713 4000

228
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

V

-1

_(Fo_eo)/t S° c°

P

-(F°-Eg)/T S° C°

n

r* -(f°-e°)/t S° c° V

-1 cm

T= 410C. T= 4200. T = 4300.

ion 6 .69131 ao . J \i c X . 98696 6 . 73837 8. 69170 . 98698 6. 78435 8. 73846 1X . 98699 100

1 1 n 6 .50538 a 1X . 98692 6 . 55236 8. 50232 \ . 98694 6. 59825 8. 54908 X1 . 98695 110

X c. 6 .33594 8 . ? 8 1 Sft 1X .• 98688 7 O (J t) U 6 . 38283 8. 32944 X . 98689 6. 42865 8. 37619 \ .98690 120

1 30 6 . 18034 8 . 12253 \ .98682 6 . 22716 8. 17041 \ . 98684 6. 27289 8. 21716 \ .98686 1 30

140 6 .03653 7. 1 .98677 6. 08327 8.02317 1 .98679 6. 12893 8.06992 1 .98681 140

150 5 .90289 7 , 83822 1 .98671 5 . 94954 7. 88609 1 . 98673 5. 99512 7. 93284 1 .98675 1 50

160 5 .77810 7

7 1000 I .98665 5 , 82467 7. 75787 I . 98667 5. 87017 7. 80462 1 . 98669 160

170 5 .66108 7

58956 . 98658 5. 70757 7. 63744 1 . 98665. 75299 7. 68418 1 .98663 170

130 5 .55095 7

47602 1 . 98651 5 , 59735 7. 52389 1 .98654 5. 64270 7. 57063 1 .98657 180

i.1 Qf) 7 w 5 .44696 7 , 36861 1 . 98643 5, 49328 7. 41648 .93647 5. 53855 7. 46322 1 . 98650 190

200 .34847 7. ZbblZ 1 .98635 5. 39472 7. 31459 1 .98639 5. 43991 7. 36133 1 .98643 200

210 5 .25496 7. 16981 1 .98627 5. 30113 7. 21768 1 .98631 5. 34624 7. 26442 1 .98635 210

220 5 . 16596 7. 07741 1 .98618 5. 21205 7. 12528 1 .98623 5. 25709 7. 17201 1 .98627 220

230 5 .08 107 6. 98912 1 .98609 5. 12707 7. 03699 1 .98614 5. 17204 7. 08372 1 .98619 230

240 4 .99994 6. 90460 1 .98600 5. 04586 6. 95246 1 .98605 5. 09074 6. 99919 1 .98610 240

250 4 .92225 6 .82353 1 .98590 4. 96809 6. 87139 1 .98596 5. 01290 6 .91812 1 .98601 250

260 4 .84775 6 . 74564 1 .98579 4. 89351 6. 79350 1 .98586 4. 93824 6 .84023 1 .98592 260

270 4 .77619 6 .67070 1 .98568 4. 82187 6. 71855 1 .98575 4. 86652 6 .76528 1 .98582 270

280 4 .70735 6 .59849 1 .98557 4. 75295 6. 64634 1 .98565 4. 79753 6 .69306 1 .98572 280

9 G CI 4 .64104 o

C 9 Q Q 1 • J Z O O I 1 O Q c: A K J, H . A Q A. A Lo .

<N 7 A A A D / OOO 1 .98554 4. 73107 6 .62338 1 .98561 5 on

300 4 .57710 6 .46151 1 . 98534 4. 62254 6. 50935 1 .98542 4. 66697 6 .55607 1 .98550 300

310 4 .51537 6 . 3964 L 1 .9852 I 4. 56073 6, 44425 1 .98530 4. 60508 6 .49096 1 .98539 310

320 4 .45570 6 .33338 1 .98508 4. 50098 6. 38122 1 .98518 4. 54525 6 .42793 1 .98527 320

330 4 .39797 6 .27230 1 .98495 4. 44317 6. 32013 1 .98505 4. 48737 6 .36685 1 .98515 330

340 4 .34207 6 .21305 I . 98481 4. 38719 6. 26088 1 .98492 4. 43131 6 .30758 1 .98503 340

350 4 .28788 6 .15551 1 .98467 4. 33292 6. 20334 1 .98479 4. 37696 6 .25004 1 .98490 350

360 4 .23532 6 .09960 1 .98453 4. 28028 6. 14743 1 .98465 4. 32424 6 .19413 1 .98477 360

370 4 . 18428 6 .04523 1 .98438 4. 22916 6. 09305 1 .98451 4. 27305 6 .13975 1 .98463 370

380 4. 13470 5 .99232 1 .98423 4. 17950 6. 04013 1.98437 4. 22331 6 .08683 1 .98449 380

390 4 .08649 5 .94078 1 .98407 4. 13121 5. 98859 1 .98422 4. 17495 6 .03528 1 .98435 390

400 4 .03958 5 .89055 1 .98391 4. 08423 5. 93836 1 .98406 4. 12789 5 .98504 1 .98421 400

410 3 .99392 5 .84156 1 .98375 4. 03848 5. 88937 1 .98391 4. 08207 5 .93605 1 .98406 410

420 3 .94944 5 .79376 1 .98358 3. 99392 5. 84156 1 .98375 4. 03743 5.88824 1 .98390 420

430 3 .90608 5 .74709 1 . 98340 3. 95048 5. 79488 1 .98358 3. 99392 5 .84156 1 .98375 430

440 3 .86379 5 .70149 1 .98323 3. 90812 5. 74928 1 .98341 3. 95148 5 .79596 1 .98358 440

450 3 .82253 5 .65692 1 .98305 3. 86678 5. 70471 1 .98324 3. 91006 5 .75138 1 .98342 450

460 3 . 78225 5 .61334 1 .98286 3. 82642 5. 66113 1 .98306 3. 86963 5 .70779 1 .98325 460

470 3 .74290 5 .57070 1 .98267 3. 78699 5. 61848 1 .98288 3. 83013 5 .66514 1 .98308 470

480 3 .70446 5 .52896 1 .98248 3. 74847 5. 57673 1 .98270 3. 79153 5.62339 1 .98290 480

490 3 .66687 5 .48808 1 .98228 3. 71080 5. 53585 1 .98251 3. 75379 5 .58251 1 .98272 490

500 3 .63011 5 .44804 1 .98208 3. 67397 5. 49580 1 .98232 3.71688 5 .54245 1 .98254 500

510 3.59414 5 .40879 1 .98187 3. 63792 5. 45655 1 .98212 3. 680/6 5 .50319 1 .98235 510

520 3.55894 5 .37031 1 .98166 3. 60264 5. 41806 1 .98192 3. 64540 5 .46470 1.98216 520

530 3 .52447 5 .33256 1 .98145 3. 56809 5. 38031 1 .98172 3. 61078 5 .42695 I .98197 530

540 3 .49070 5 .29553 1 .98123 3. 53424 5. 34327 1 .98151 3. 57686 5 .38990 1 .98177 540

550 3 .45761 5 .25918 1 .98101 3. 50108 5. 30692 1 .98130 3. 54362 5 . 35354 1 .98157 550

560 3 .42518 5 .22348 1 .98079 3. 46857 5. 27122 1 .98109 3. 51103 5 .31784 1 .98137 560

570 3 .39338 5. 18843 1 .98056 3. 43669 5. 23616 1 .98087 3. 47908 5 .28277 1 .98116 570

580 3 .36219 5 .15398 1 .98032 3. 40542 5. 20171 1 .98065 3. 44774 5 .248>2 1 .98094 580

590 3.33159 5 .12013 1 .98009 3. 37474 5. 16785 1 .98042 3. 41699 5 .21445 1 .98073 590

229
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

V -(f°-e°)/t so 0° -(f°-e°)/t so eg -(fo-eo)/t so

cm

T=4100. T=4200. T=4300.

17 . nU AOOA Ao R-> 1 . Q7QOA 7 1 7 OH '^AAA'^ cJ . 1 j*t7 f 11 . Q70A nU 11 Q7

-2D . 9 AO AOOAnU 9 .

I1 A0 1 1 7 1 1 1 11Qft n«^ 1 . 7 0 U9Ann OUU

AO 1X nu

KI> .11 .71Q7QAn 70U c7 . X U 1 O *T X . 7 17 7 9ItO • 9 9S71 1X 7f c9 .

1 AAA':i X HO*T 9 1 . Oft 7O nU t90A0 1X nu

u

X J/. IIP n 9 1 Q A 1 .7 1 7 J I? aJ pftAflA 9 £. OOUH c7 . OAUO Q70HA4 X1 . Q7Q79 7 f 7 f ^

2

D m 9^ 1

9 AnOU 7r 9 . X

1 1X A90^ 9

11 « Q7OUU0 AnnA Aon 0^ u 630 3.21468 4. 99027 1 .97910 3.25753 5. 03797 1.97947 3. 29948 5. 08455 1 .97983 630

640 3.18675 4. 95911 1 .97884 3.22951 5. 00680 1.97923 3. 27139 5. 05338 1 .97959 640

•a 1 c:qoq O • X I,* 7 t, 7

A

*t « Qp O A a 7 t Of' J

11 Q7 AS A J • ^ U X 7 o C)7A1 7 10 111 1X • Q7AQA 7 1 0 7 0

2J . t

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9 70/ 7 9 . nU^9 A9 AQD 7

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oou A•t • O 7 O t J 1 Q7 Q "2 1 . 7 r O 3 1 i 1 7 AQ 0 4. 94590 1X • Q7A7'^ 7 1 O f J

2J . 9 1 A A S <L X 0 0 9 A QQ9A 7 1X Q70 1 1 • 7 f 7 1 1 AAn oou

O f U ooono A A ft A ft "11 .71Q7 ftOUHn A •2 1 Aft ^ 1 4. 91615 1

1 • Q7ftA7 7 f On f

•2 .

11 A0 QQ7 7 7 f

i. Q A 9 7 1 11 07 ft ft 7 A7n 0 f u 680 3.07968 4. 83917 1 .97777 3.12215 4. 88684 1.97821 3. 16373 4. 93339 1 .97862 680

690 3.05402 4. 81030 1 .97749 3.09641 4. 85796 1.97794 3. 13792 4. 90451 1 .97837 690

1 uu o ft 7 7 O . Off An « 1 O i O !> 1 07 7 1 . 7 r 1 C.I

-2 r\ 7 1 n ft 3 . U f I Uo 4. 82950 11.71Q77A7 for -23 •

1 1 0 c 9 A 0

0 71 AoUhn A 1 .97811 7nn f uu

7 ^ f\ i lu a nn o J . uu -3 T 3 A 7 *\ ft 1 f J DO L 1 .97692 a HAA 1 A J

UhO 14. 80145 11.71Q77An f *f U

2J . n A 7 UC5 f 9 9 A 0A A7Q T- f 7 Q7 1 .97785 7 1 n f lU

1 AH . 7 9 A 1 A 1 .97663 4. 77380 11.71Q77 1

1 1 J 2

9 . HAUO 9 0 9 A A 9 n 1 "5, O^U 9 9 1 .97759 7f onC.\J 730 2.95541 4. 69890 1 .97634 2.99749 4. 74653 1.97685 3. 03871 4. 79305 1 .97732 730

7A0 2.93171 4. 67201 1 .97604 2.97371 4. 71963 1.97656 3. 01486 4. 76615 1 .97705 740

f ?u ^

o • QnA^7 7U O D 1 A*t . A AR AO 1 .97574 ^ . 7 3 U JU 4. 69311 1X . Q7A97 7 f f 7 7 7 1L ^7D 1 4. 73961 1 .97677 7'5n TAD O fi A A A*T « AO 1 Q 9 1 7 J t 1 .97543 o Q 97 9 :i 4. 66693 X . 7 f 9 7 O 7 QAR7 70 %7 4. 71343 1 .97650 7f AnOU

77n 1 1 U ^

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A*T . -) 7 J 3 U 1 .97512 9 on A R

£. . 7 U*t 1 4.64110 X • 7 1 J O 7 7 447*T 544 7*T*r 4. 68760 1 .97621 77n 1 1 u 780 2.84042 4. 56802 1 .97481 2.88212 4. 61561 1.97539 2. 92298 4. 66210 1 .97593 780

790 2.81843 4. 54286 1 .97449 2.86006 4. 59045 1.97509 2. 90084 4. 63693 1.97564 790

ov#v/ ? - 7<?A7A 4. 51803 1 .97417 £. * O J O J L 4. 56561 1 . 97478 2 , 87903 4. 61208 1 .97535 800

1 n 4. 49350 1 .97384 c. . O 1 o o o 4. 54108 1 . 7 ( T'T 1 7 4. 58754 1.97505 810

4. 46929 1.97351 £. . f 7 ^ 1 ^ 4. 51685 1 Q741l . 7 1 ^ i ^ 7 R'^ W J A^\J J 11. 4. 56331 1 .97475 820

830 2.73357 4. 44537 1 .97318 2.77490 4. 49292 1.97384 2. 81539 4. 53938 1 .97445 830

840 2.71309 4. 42174 1 .97284 2.75434 4. 46929 1.97351 2. 79476 4. 51573 1 .97414 840

? AO 7 O Q 4. 39839 1 .97250 £~ m ( ^w D 4. 44593 1 . 7 1 J A 7

7 . 77441 1 1 7 H

4.49237 1 .97383 R5n

? A7 ?Q

4. 37532 1 .97216 ? 7 1 ^.flA 4.42286 11 . q77HA 7 f ^ oo 7 7<i4'^4 4. 46929 1 .97351 RAD

O ( u 4. 35253 1 .97181 7 to A 5 T ^ . O 7 *T 4. 40005 1 . 7 1 t3 J 7 7a A t -i

1 7 4. 4464 7 1 .97320 R7fl 0 1 u 880 2.63389 4. 32999 1 .97145 2.67484 4. 37751 1.97219 2. 71498 4. 42392 1 .97287 880

890 2.61474 4. 30772 1 .97109 2.65562 4. 35523 1.97185 2. 69569 4. 40163 1 .97255 890

4.28570 1 .97073 C.? . A'^AAS O J/ o o ^ 4. 33320 1 Q7 1 R n 7 0 1 00 7 4. 37960 1 .97222 ODD 7 uu

Qi n 4. 26392 1 .97037 ^9 . AO 11 7<J 17^? 4. 31141 1 Q7 1 1

1.71 1 1 17 7 AR7R4 0 J 1 0 H 4. 35780 1 .97189 7 1 u

. 1? ? O f f 4. 24239 1 .97000 ^ . U 7 7t^ 4. 28987 1 . 7 1 W O Vj 2. 63928 4. 33626 1 .97155 7 £. U

930 2.54059 4. 22110 1 .96963 2.58117 4. 26857 1.97045 2. 62095 4. 31494 1 .97121 930

940 2.52263 4. 20003 1 .96925 2.56314 4. 24750 1.97009 2. 60285 4. 29386 1 .97087 940

^ . PUH 7 U 4. 17920 1 .96887 4. 22665 11 . QAQ77 70 7 1 t 2. 58497 4. 27301 1 .97052 7 J u

t9 A A 7 ft . HO 1 JO 4. 15858 1 .96848 7 •57774 4. 20603 1 . 70 77 O 2. 56731 4. 25238 1 .97017 <3An 7 0 U

£ • *t 1 uu o 4. 13818 1 .96809 7 R 1 O A 4. 18562 J. . 70 O 7 7 2. 54986 4. 23196 1 .96982 7 1 u

o u fc. . t 1/ t 7 O 4. 11800 1 .96770 7 4Q ^ 1

Q

4. 16543 11 . QARA1 70 OO 1 2. 53262 4. 21176 1 .96946 980

990 2.43610 4. 09803 1 .96730 2.47623 4. 14544 1.96823 2. 51559 4. 19177 1 .96910 990

1000 2.41941 4. 07825 1 .96690 2.45947 4. 12566 1.96785 2. 49876 4. 17198 1.96873 1000

1010 2.40292 4. 05869 1 .96650 2.44291 4. 10609 1.96746 2. 48213 4. 15239 1 .96836 1010

1020 2.38662 4. 03931 1 .96609 2.42654 4. 08670 1.96707 2. 46569 4. 13300 1 .96799 1020

1030 2.37051 4.02013 1 .96568 2.41035 4. 06751 1.96668 2.44943 4. 11380 1 .96762 1030

1040 2.35459 4. 00114 1 .96526 2.39436 4. 04851 1.96628 2. 43337 4. 09479 1.96724 1040

1050 2.33885 3. 98234 1 .96484 2.37854 4. 02970 1.96588 2. 41748 4.07597 1 .96685 1050

1060 2.32328 3. 96372 1.96441 2.36291 4. 01107 1.96548 2. 40178 4- 05733 1 .96647 1060

1070 2.30789 3. 94527 1 .96399 2.34744 3. 99261 1.96507 2. 38624 4. 03887 1 .96608 1070

1080 2.29268 3. 92701 1 .96355 2.33215 3. 97434 1.96466 2. 37088 4. 02058 1 .96568 1080

1090 2.27763 3. 90891 1 .96312 2.31703 3. 95623 1.96424 2. 35569 4. 00246 1 .96529 1090

CO

p cm

-1

230
cm

-1

Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

-(F°-E°)/T S° CO _(fo-E°)/t

u p u so CO

P

-(FO-Eo)/t SO CO

P

V

-1 cm

T= 4100. T= 4200. T= 4300.

1100 2.26274 3. 89098 1 .96268 2.30208 3. 93829 1.96382 2. 34067 3. 98452 1.96489 1100

1110 2.24802 3. 87322 1 .96223 2.28728 3. 92052 1.96340 2. 32580 3. 96674 1 .96448 1110

1120 2.23346 3. 85563 1 .96178 2.27265 3. 90292 1.96297 2. 31110 3. 94912 1 .96408 1120

1130 2.21905 3. 83819 1 .96133 2.25817 3. 88547 1.96254 2. 29655 3. 93166 1 .96366 1130

1140 2.20480 3. 82091 1 .96088 2.24384 3. 86818 1.96211 2. 28216 3. 91436 1 .96325 1140

1150 2. 19070 3. 80379 1 .96042 2.22967 3. 85105 1.96167 2.26792 3. 89722 1 .96283 1150

1160 2.17675 3. 78682 1 .95995 2.21565 3. 83406 1.96123 2. 25382 3. 88023 1 .96241 1160

1170 2.16294 3. 77000 1 .95949 2.20177 3. 81723 1.96078 2. 23987 3. 86338 1 .96198 1170

1180 2. 14927 3. 75332 1 .95902 2. 18803 3. 80055 1.96033 2. 22607 3. 84669 1 .96155 1180

1190 2.13575 3. 73679 1 .95854 2. 17443 3. 78400 1.95988 2. 21241 3. 83014 1 .96112 1190

1200 2. 12237 3. 72040 1 .95806 2. 16098 3.76761 1.95942 2. 19888 3. 81373 1 .96069 1200

1210 2.10912 3. 70416 1 .95758 2.14766 3. 75135 1.95896 2. 18549 3. 79746 1 .96025 1210

1220 2.09600 3. 68805 1 .95709 2.13447 3. 73522 1.95850 2. 17223 3. 78132 1 .95980 1220

1230 2.08302 3. 67207 1 .95660 2.12141 3. 71924 1.95803 2. 15911 3. 76533 1 .95936 1230

1240 2.07016 3. 65623 1 .95611 2.10849 3. 70339 1.95756 2. 14612 3. 74946 1 .95891 1240

1250 2.05743 3. 64052 1 .95561 2.09569 3. 68766 1.95708 2. 13325 3. 73373 1 .95845 1250

1260 2.04483 3. 62494 1.95511 2.08302 3. 67207 1.95660 2. 12051 3. 71813 1 .95800 1260

1270 2.03235 3. 60949 1 .95460 2.07047 3. 65661 1.95612 2. 10739 3. 70265 1 .95753 1270

1280 2.01999 3. 59416 1 .95409 2.05804 3. 64127 1.95563 2. 09539 3. 68730 1 .95707 1280

1290 2.00775 3. 57895 1 .95358 2.04573 3.62605 1.95514 2. 08302 3. 67207 1 .95660 1290

1300 1 .99563 3. 56387 1 .95306 2.03353 3. 61095 1. 95465 2. 07076 3. 65697 1 .95613 1.300

1310 1 .98363 3. 54891 1 .95254 2.02146 3. 59598 1. 95415 2. 05861 3. 64198 1 .95566 1310

1320 1 .97174 3. 53406 1 .95201 2.00950 3. 58112 1. 95365 2. 04658 3. 62711 1 .95518 1320

1330 1 .95996 3. 51933 1 .95149 1.99765 3. 56638 1. 95315 2. 03466 3. 61235 1 .95470 1330

1340 1 .94829 3. 50471 1 .95095 1.98591 3.55175 1. 95264 2. 02286 3. 59771 1 .95421 1340

1350 1.93672 3. 49021 1 .95042 1 .97427 3. 53723 1.95213 2.01116 3. 58319 1.95372 1350

1360 1.92527 3. 47582 1 .94988 1 .96275 3. 52283 1.95161 1.99957 3. 56877 1.95323 1360

1370 1.91392 3. 46154 1 .94933 1 .95133 3. 50853 1.95109 1.98808 3. 55446 1.95273 1370

1380 1.90268 3. 44736 1 .94878 1 .94002 3. 49434 1.95057 1.97670 3. 54026 1.95223 1380

1390 1.89153 3. 43329 1 .94823 1 .92880 3. 48026 1.95004 1.96542 3. 52617 1.95173 1390

1400 1.88049 3. 41933 1 .94768 1 .91769 3. 46628 1.94951 1.95424 3. 51218 1.95123 1400

1410 1.86955 3. 40547 1 .94712 1 .90668 3. 45241 1.94898 1.94316 3. 49829 1.95072 1410

1420 1.85871 3. 39171 1 .94655 1 .89577 3. 43864 1.94844 1.93218 3. 48451 1.95020 1420

1430 1.84796 3. 37805 1 .94599 1 .88495 3. 42497 1.94790 1.92130 3. 47082 1.94969 1430

1440 1.83731 3. 36449 1 .94542 1 .87423 3. 41139 1.94736 1.91051 3. 45724 1.94917 1440

1450 1.82675 3. 35103 1 .94484 1 .86360 3.39792 1.94681 1.89982 3.44375 1.94864 1450

1460 1.81628 3. 33767 1 .94426 1 .85306 3. 38454 1.94626 1.88922 3. 43036 1.94812 1460

1470 1.80591 3. 32440 1 .94368 1 .84262 3. 37126 1.94570 1.87870 3. 41706 1.94759 1470

1480 1.79562 3. 31122 1.94310 1 .83227 3. 35807 1.94514 1.86828 3. 40386 1.94705 1480

1490 1.78542 3. 29814 1 .94251 1 .82200 3. 34497 1.94458 1.85795 3. 39075 1.94652 1490

1500 1.77532 3. 28515 1 .94191 1 .81182 3.33197 1.94402 1.84771 3.37773 1.94597 1500

1510 1.76529 3. 27225 1 .94132 1 .80173 3. 31905 1.94345 1.83755 3. 36481 1.94543 1510

1520 1.75536 3.25943 1 .94072 1 .79173 3. 30623 1.94287 1.82748 3. 35197 1.94488 1520

1530 1.74550 3. 24671 1 .94011 1.78180 3. 29349 1.94230 1.81749 3. 33921 1.94433 1530

1540 1.73573 3. 23407 1 .93950 1 .77197 3. 28084 1.94172 1.80759 3. 32655 1.94378 1540

1550 1.72604 3. 22152 1 .93889 1 .76221 3. 26827 1.94113 1.79777 3. 31397 1.94322 1550

1560 1.71643 3. 20905 1 .93828 1 .75253 3. 25579 1.94054 1.78802 3. 30148 1,94266 1560

1570 1.70691 3. 19667 1 .93766 1 .74294 3. 24339 1.93995 1.77836 3. 28906 1.94209 1570

1580 1.69746 3. 18437 1 .93703 1 .73342 3. 23108 1.93936 1.76878 3. 27674 1.94153 1580

1590 1.68808 3. 17215 1 .93641 1.72398 3. 21884 1.93876 1.75927 3. 26449 1.94095 1590

231
Table 11 Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

V -(F°-E°)/T S° C° -(Fo-E°)/T 3° Cg -(F°-Eo)/T S° C°

cm

T^'HOO. T=4200. T=4300.

1600 1 .67879 3. 16001 1 .93578 1 .71461 3. 20669 1 .93816 1.74985 3.25232 1 .94038 1600

1610 1 .66957 3. 14795 1 .93514 1.70533 3. 19461 1 . 93755 1.74049 3. 24023 1 .93980 1610

1620 1 .66042 3. 13597 1 .93450 1 .69611 3. 18262 1 .93694 1.73121 3. 22822 1 .93922 1620

1630 1.65135 3. 12407 1 .93386 1 .68697 3. 17070 1 .93633 1.72201 3. 21629 1 .93863 1630

1640 1 .64235 3.11224 1.93322 1 .67791 3. 15886 1 .93572 1.71288 3.20444 1 .93805 1640

1 Z. C 1630 1 .63343 3. 10049 1 .93257 1 .66891 3. 14709 1 .93510 1.70382 3. 19266 1 .93745 1650

1 ^ n 1 .62457 a o o o o o

1 .93192 1 .65999 3 .

1 c I. r\ 13540 1 . 93447 1. 69483 3. 18095 1 .93686 1660

16/0 1 .61578 3.07722 1 .93126 1.65114 3. 12379 1 .93385 1.68592 3. 16932 1 .93626 1670

1 .60707 i .06569 1 .93060 1 .64235 3. 1 1224 1 .93322 1 . 67707 3. 15776 1 .93566 1680

1690 1 .59842 3.05423 1 .92993 1.63364 3. 10077 1 .93258 1.66829 3. 14628 1 .93505 1690

1 f UU 1 .58984 1 f\ A O O C 3. 04^85 1 .92927 1 .62499 3. 08937 1 •93195 1 z. c o c o 1.65958 3. 13486 1.93444 1 "T A n 1 lOO

\ 1 1 f\ 1 ( iU 1 .58132 tl "2 1 k a J . U 3 1 D^t 1 .92860 1 .61641 3. 07804 1 . 93 131 1 .65093 3. 12352 1 .93383 1 r 10

1 "7 o r\ 1 f ^0 1 .57288 1 O T rt 3. 0^0i:9 1 .92792 1 .60789 3. 06678 1 . 93066 1.64235 3. 11224 1 .93322 1720

1 "T o r\ 1 1 30 1 .56449 3.00912 1 .92724 1 .59945 3. 05559 1 . 93001 1 .63384 3. 10104 1 .93260 1730

1740 1 .55618 2.99801 1 .92656 1 .59106 3. 04447 1 .92936 1.62539 3. 08990 1.93198 1740

1750 1 .54792 2.98697 1 .92588 1 .58274 3. 03342 1 .92871 1.61701 3. 07883 1 .93135 1750

1760 1 .53973 2.97600 1 .92519 1 .57448 3. 02243 1 . 92805 1.60868 3. 06783 1 .93072 1760

1770 1.53160 2.96510 1 .92449 1 .56628 3. 01151 1 .92739 1 .60042 3. 05689 1 .93009 1770

1780 1 .52353 2.95426 1 .92380 1 .55815 3. 00065 1 .92672 1 .59223 3. 04602 1 .92945 1780

1790 1 .51552 2.94348 1 .92310 1 .55008 2.98986 1 .92606 1.58409 3. 03521 1.92882 1790

1800 1 .50758 2.93277 1 .92239 1 .54206 2. 97913 1 . 92538 1.57601 3. 02447 1 .92817 1800

1810 1 .49969 2 .92212 1 .92169 1 .53411 2. 96846 1 . 92471 1 . 56800 3. 01379 1 .92753 1810

1820 1 .49186 2.91153 1 .92098 1 .52621 2. 95786 1 .92403 1.56004 3. 00317 1 .92688 1820

1830 1 .48409 2.90101 I .92026 1 .51838 2. 94732 1 . 92335 1 .55214 2. 99261 1 .92623 1830

1840 1.47637 2.89055 1 .91954 1 .51060 2. 93684 1 .92266 1.54429 2. 98212 1 .92557 1840

1850 1 .46871 2.88015 1 .91882 1 .50287 2. 92642 1 .92197 1 . 53651 2. 97168 1 .92491 1850

1860 1 .46111 2. 86980 1 .91810 1 .49521 2. 91606 1 .92128 1 .52878 2. 96131 1.92425 1860

1870 1 .45357 2.85952 1 .91737 1 .48760 2. 90576 1 . 92058 1.52110 2. 95099 1 .92359 1870

1880 1 .44608 2. 84930 1 .91663 1 .48004 2. 89552 1 .91988 1.51348 2. 94073 1 .92292 1880

1890 1.43864 2.83913 1 .91590 1 .47254 2. 88534 1 .91918 1.50592 2. 93053 1 .92225 1890

1900 1.43126 2.82902 1 .91516 1 .46509 2. 87521 1 .91848 1.49841 2. 92039 1 .92157 1900

1910 1 .42393 2. 81897 1 .91441 1 .45769 2. 86514 1 .91777 1.49095 2. 91031 1 .92089 1910

1920 1 .41665 2. 80898 1 .91367 1 .45035 2. 85513 1 .91705 1.48355 2. 90028 1 .92021 1920

1930 1 .40942 2.79904 1 .91292 1.44306 2. 84517 1 .91634 1.47619 2. 89031 1 .91953 1930

1940 1 .40225 2.78915 1 .91216 1 .43582 2. 83527 1 .91562 1.46889 2. 88039 1 .91884 1940

1950 1 .39512 2.77932 1 .91141 1 .42863 2. 82543 1 .91489 1.46164 2. 87052 1 .91815 1950

1960 1 .38805 2.76955 1 .91065 1 .42149 2. 81563 1 .91417 1.45444 2. 86071 1 .91745 1960

1970 1 .38103 2.75983 1 .90988 1 .41441 2. 80589 1 .91344 1.44729 2. 85096 1 .91675 1970

1980 1 .37405 2.75016 1 .90911 1 .40737 2. 79621 1 .91270 1.44019 2. 84125 1 .91605 1980

1990 1 .36713 2.74054 1 .90834 1.40038 2. 78657 1 . 91 197 1.43314 2. 83160 1 .91535 1990

2000 1 .36025 2.73098 1 .90757 1 .39344 2. 77699 1 .91123 1.42614 2. 82200 1 .91464 2000

2010 1 .35342 2.72147 1 .90679 1 .38654 2. 76746 1 .91048 1.41918 2. 81246 1 .91393 2010

2020 1 .34664 2.71201 1 .90601 1 .37969 2. 75798 1 .90974 1.41227 2. 80296 1 .91322 2020

2030 1 .33990 2.70260 1 .90522 1 .37290 2. 74855 1 .90899 1.40541 2. 79351 1 .91250 2030

2040 1 .33321 2.69324 1 .90443 1 .36614 2. 73917 1 .90823 1.39860 2. 78412 1.91178 2040

2050 1 .32657 2.68392 1 .90364 1 .35943 2. 72984 1 .90747 1.39183 2. 77477 1 .91105 2050

2060 1 . 31997 2.67466 I .90284 1 .35277 2. 72056 1 .90671 1.38510 2. 76547 1 .91033 2060

2070 1 .31341 2.66545 1 .90204 1 .34615 2. 71133 I .90595 1.37843 2.7^622 1 .90960 2070

2080 1 .30691 2.65629 1 .90124 1 .33958 2. 70215 1 .90518 1.37179 2.74702 1 .90886 2080

2090 1 .30044 2.64717 1 .90044 1 .33305 2. 69301 1 .90441 1.36520 2. 73787 1 .90813 2090

232
cm

-1

-(f°-e°)/t

Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

S° CO -(FO-Eo)/T S° C° -(F°-E°)/T S° P -(f°-e°)/t G°P cm

V

-1

T=4100. T=4200. T=4300.

2100 1 .29402 2. 63810 1 . 89963 1 . 32657 2. 68392 1 .90364 1. 35866 2. 72876 1 .90739 2100

2110 1 .28764 2. 62908 1 . 89881 1 . 32012 2. 67488 1 .90286 1.35215 2. 71970 1 .90664 2110

2120 1 .28 130 2. 62010 1 .89800 1 .31373 2. 66589 1 .90208 1.34569 2. 71069 1 . 90590 2 120

2130 1 .27501 2.61117 1 . 89718 1 . 30737 2. 65694 1 .90130 1. 33928 2. 70172 1 .90515 2130

2140 1 .26876 2. 60229 1 . 89635 1 .30105 2. 64804 1 .90051 1.33290 2. 69280 1 .90440 2140

2150 1 .26255 2. 59345 1 . 89553 1 . 29478 2. 63918 1 .89972 1.32657 2. 68392 1 . 90364 2150

2160 1 . 25638 2. 58465 1 . 89470 1 .28855 2. 63036 1 .89893 1.32027 2. 67509 1 . 90288 2 160

2170 1 .25025 2 . 57590 1 . 89386 1 .28236 2. 62 159 1 .89813 1. 31402 2. 66631 1 .90212 2 170

2180 1 .24416 2. C Z. TT r* 56720 1 . 89302 1 .27620 2. 61287 1 .89733 1.30781 2. 65756 1 .90135 2 180

2190 1 .23811 2 . c c o cr / 55854 1 .89218 1 .27009 2. 60419 1 .89653 1.30164 2. 64886 1 .90059 2190

2200 1 .23210 2. 54992 1 .89134 1 .26402 2. 59555 1 .89572 1.29551 2. 64020 1 . 89981 2200

22 10 1 .22613 2. 54134 1 . 89049 1 .25799 2. 58695 1.89491 1. 28941 2. 63159 1 . 89904 2210

2220 1 .22020 2 . 53281 1 . 88964 1 .25199 2. 57840 1 .89410 1. 28336 2. 62302 1 .89826 2220

2230 1 .21430 2 . 52432 1 . 88879 1 . 24604 2. 56989 1 .89328 1. 27735 2. 61449 1 . 89748 22 30

2240 1 .20845 2. 51587 1 .88793 1 .24012 2. 56142 I 1.27137 2.60600 1 .89670 2240

2250 1 .20263 2. 50746 1 . 88707 1 .23424 2. 55299 1 • oV 16*> 1. 26543 2. 59755 1 . 89591 2250

2260 1 .19685 2. 49910 1 . 8862

1 .22840 2. 54460 1 o rt o o

• 89082 1.25953 2. 58915 1 . 89512 2260

2270 1 .19110 2 .

/ "7 T 4907 7 1 . 88534 1 .22259 2. 53626 1 .88999 1 .25366 2. 58078 1 . 89433 2270

2280 1 .18540 2 . 48248 1 . 88447 1 .21682 2. 52795 1 .88915 1 . 24783 2. 57246 1 .89353 2280

2290 1.17973 2. 47424 1 .88359 1 .21109 2.51969 1 . 88832 1.24204 2. 56417 1 .89273 2290

2300 1 .17409 2. 46603 1 .88271 1 .20539 2. 51146 1 . 88748 1 . 23629 2. 55593 1 .89193 2300

2310 1 .16849 2. 45787 1 . 88183 1 . 19973 2. 50327 1 . 88664 1.23057 2. 54772 1 .89112 2310

2320 1 .16293 2. 44974 1 . 88095 1 . 19411 2. 49513 1 .88579 1.22488 2. 53955 1 .89031 2320

2330 1 .15740 2 . 44165 1 . 88006 1 . 18852 2. 48702 1 .88494 1.21923 2. 53142 1 .88950 2330

2340 1 .15190 2 . 43360 1 .87917 1 .18296 2. 47895 1 . 88409 1.21362 2. 52333 1 .88869 2340

2350 1 .14644 2. 42559 1 . 87828 1 .17744 2. 47091 1 . 88324 1. 20804 2. 51528 1 .88787 2350

2360 1 .14102 2. 41762 1 .87738 1 .17195 2. 46292 1 . 88238 1.20249 2. 50727 1 .88705 2360

2370 1 .13563 2. 40968 1 . 87648 1 . 16650 2. 45496 1 . 88 152 1. 19698 2. 49929 1 .88623 2370

2380 1 .13027 2. 40178 1 .87557 1 . 16108 2. 44704 1 .88065 1. 19150 2. 49135 1 .88540 2380

2390 1 .12494 2 . 39392 1 .87467 1 . 15569 2. 43916 1 .87979 1. 18606 2. 48345 1 .88457 2390

2400 1 .11965 2. 38609 1 .87376 1 .15034 2. 43131 1 .87892 1. 18065 2- 47558 1 .88373 2400

2410 1 .11439 2. 37831 1 .87284 1 . 14502 2. 42350 1 .87804 1. 17527 2. 46775 1.88290 2410

2420 1 .10916 2. 37055 1 -87193 1 . 13973 2. 41572 1 .87717 1. 16992 2. 45995 1 .88206 2420

2430 1 .10396 2. 36283 1 .87100 1 .13447 2. 40799 1 .87629 1. 16461 2. 45219 1 .88122 2430

2440 1 .09880 2. 35515 1 .87008 1 .12925 2. 40028 1 .87540 1. 15932 2. 44447 1 .88037 2440

2450 1 .09366 2. 34751 1 .86915 1 .12406 2. 39261 1 .87452 1. 15407 2. 43678 1 .87952 2450

2460 1 .08856 2. 33989 1 .86822 1 .11889 2. 38498 1 .87363 1. 14885 2. 42913 1 .87867 2460

2470 1.08349 2. 33232 1 .86729 1 .11376 2. 37738 1 .87273 1. 14366 2. 42151 1 .87782 2470

2480 1 .07845 2. 32477 1.86635 1 .10866 2. 36982 1 .87184 1. 13851 2. 41392 1 .87696 2480

2490 1 .07344 2. 31727 1 .86541 1 .10359 2. 36229 1 .87094 1. 13338 2. 40637 1 .87610 2490

2500 1 .06846 2. 30979 1 .86447 1 .09855 2. 35479 1 .87004 1.12828 2. 39885 1 .87524 2500

2510 1 .06351 2. 30235 1 .86352 1 .09354 2. 34732 1 .86913 1.12321 2. 39137 1 .87437 2510

2520 I .05859 2. 29494 1 .86258 1 .08856 2. 33989 1 .86822 1.11818 2. 38392 1 .87350 2520

2530 1 .05370 2. 28757 1 .86162 1 .08361 2. 33250 1 .86731 1.11317 2. 37650 1 .87263 2530

2540 1 .04883 2. 28023 1 .86067 1 .07869 2. 32513 1 .66640 1.10819 2. 36911 1 .87175 2540

2550 1 .04400 2. 27292 1 .85971 1.07380 2,31780 1 .86548 1.10324 2. 36176 1 .87088 2550

2560 1 .03919 2. 26564 1 .85875 1 .06893 2. 31050 1 .86456 1.09832 2. 35444 1 .87000 2560

2570 1 .03442 2. 25840 1 .85778 1 .06410 2. 30323 1 .86364 1.09343 2. 34715 1 .86911 2570

2580 1 .02967 2. 25118 1.85681 1.05929 2.29600 1 .86271 1.08856 2. 33989 1 .86822 2580

2590 1.02495 2. 24400 1 .85584 1.05451 2. 28879 1 .86178 1.08372 2. 33267 1 .86733 2590

638951 O - 62 - 16

233

I
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

y

—

cm

V-i- -e°)/t

T =

S°

4100.

C°P

-E°") /T

T=

S°

4200.

C°P

T=

S°

4300 .

p

-i cm

2600 1. 2. 23685 1. 85487 1. 0A97b 2. 28162 1. 86085 1. 07892 2. 32547 1. 86644 2600

2610 1. 01559 2. 22973 1. 85389 1. 04503 2. 27448 1. 85991 1. 07414 2. 31831 1. 86555 2610

2620 1. 01095 2. 22265 1. 85291 1. 04034 2. 26737 1. 85898 1. 06938 2. 31118 1. 86465 2620

2630 1. 00634 2. 21559 1. 85192 1. 03567 2. 26029 1. 85803 1. 06466 2. 30408 1. 86375 2630

2640 1. 00176 2. 20856 1. 85093 1. 03102 2. 25324 1. 85709 1. 05996 2. 29701 1. 86284 2640

2650 0. 99720 2. 20157 1. 84994 1. 02641 2. 24622 1. 85614 1. 05528 2. 28997 1. 86193 2650

2660 0. 99267 2. 19460 1. 84895 1. 02182 2. 23923 1. 85519 1. 05064 2. 28295 1. 86102 2660

2670 0. 98816 2. 18766 1. 84795 1. 01725 2. 23227 1. 85424 1. 04602 2. 27597 1. 86011 2670

2680 0. 98368 2. 18076 1. 84695 1. 01272 2. 22534 1. 85328 1. 04143 2. 26902 1. 85919 2680

2690 0. 97923 2. 17388 1. 84595 1. 00820 2. 21844 1. 85232 1. 03686 2. 26210 1. 85827 2690

2700 0 .97480 2 . 16703 1 .84495 1.00372 2 .21157 1 .85136 1.03232 2 .25520 1 .85735 2700

2710 0 .97040 2 .16021 1 .84394 0.99926 2 .20473 1 .85039 1.02780 2 .24834 1 .85643 2710

2720 0 .96602 2 .15342 1 .84292 0.99482 2 . 19791 1 .84942 1.02331 2 .24150 1 .85550 2720

^ f 3U 0 .96166 2 .14666 i 0 . V VU4

-i . 1 V 1 1 3 1 1 . U I 004 2 .23470 1 OCA C "7 o "7 "a r» 2740 0 .95734 2 . 13993 1 .84089 0.98602 2 . 18437 1 .84748 1.01440 2 .22792 1 .85364 2740

2750 0 .95303 2 .13323 1 .83987 0.98166 2 .17764 1 .84650 1.00998 2 .22117 1 .85270 2750

2760 0 .94875 2 .12655 1 .83885 0.97733 2 . 17094 1 .84552 1.00559 2 .21444 1 .85176 2760

2770 0 .94450 2 .11990 1 .83782 0.97301 2 . 16427 1 .84454 1.00122 2 .20775 1 .85082 2770

O ~T O A 2 1 80 0 .94027 2 .11328 1 . 83679 0 • 9oo /

2 1 2 .20108 1 G /. Q O Q O "7 Q n 2790 0 .93606 2 .10669 1 .83576 0.96446 2 .15101 1 .84256 0.99256 2 . 19444 1 .84893 2790

2800 0.93187 2 . 10012 1 .83472 0.96022 2 . 14442 1 .84157 0.98827 2 . 18783 1 .84798 2800

2810 0 .92771 2 .09358 1 .83368 0.95600 2 .13785 1 . 84058 0.98399 2. 18124 1 .84702 2810

2820 0 .92358 2 .08707 1 .83264 0.95181 2 .13132 1 .83958 0.97974 2 .17468 1 .84607 2820

2830 0 .91946 2 .08058 1 .83159 0 . 94764 2 . 12481 1 O "3 o c o

. 838b8 r\ n "7 c c o U . 9 f DD^: 2 . 16815 1 . o4D I

O Q "2 n 2840 0 .91537 2 .07413 1 .83054 0.94349 2 .11832 1 .83757 0.97132 2 . 16164 1 .84415 2840

2850 0 .91130 2 .06769 1 .82949 0.93936 2 .11187 1 .83657 0.96714 2 .15516 1 .84318 2850

2860 0 .90726 2.06129 1 .82844 0.93526 2 .10543 1 .83556 0.96298 2 . 14870 1 .84222 2860

2870 0 .90323 2 .05491 1 .82738 0.93118 2 .09903 1 .83455 0.95884 2 .14228 1 .84125 2870

2880 0 .89923 2 .04855 1 .82632 0.92712 2 .09265 1 .83353 0.95473 2 . 13587 1 .84027 2880

2890 0 .89525 2 .04222 1 .82526 0.92309 2 .08630 1 .83251 0.95064 2.12950 1 .83930 2890

2900 0 .89129 2.03592 1 .82419 0.91907 2 .07997 1 .83149 0.94657 2 .12315 1 .83832 2900

2910 0 .88736 2 .02964 1 .82312 0.91508 2 .07367 1 .83047 0.94253 2 .11682 1 .83734 2910

2920 0 .88344 2 .02339 1 .82205 0.91111 2 .06739 1 .82944 0.93850 2 .11052 1 .83636 2920

2930 0 .87955 2 .01716 1 .82098 0.90716 2 .06113 1 .82841 0.93450 2 . 10424 1 .83537 2930

2940 0 .87568 2.01096 1 .81990 0.90323 2 .05491 1 .82738 0.93052 2 .09799 1 .83438 2940

2950 0 .87183 2 .00478 1 .81882 0.89932 2 .04870 1 .82635 0.92656 2 .09176 1 .83339 2950

2960 0 .86800 1 .99863 1 . 81773 0.89544 2 .04252 1 .82531 0.92262 2 .08556 1 .83239 2960

2970 0 .86419 1 .99250 1 .81665 0.89157 2 .03637 1 .82427 0.91870 2 .07938 1 .83140 2970

2980 0 .86040 1 .98640 1 .81556 0.88773 2 .03024 1 .82322 0.91480 2 .07323 1 .83040 2980

2990 0 .85663 1 .98032 1 .81447 0.88391 2 .02413 1 .82218 0.91092 2 .06710 1 -82939 2990

3000 0 .85288 1 .97426 1 .81337 0.88010 2 .01805 1 .82113 0.90707 2.06099 1 .82839 3000

3010 0 .84915 1 .96823 1 .81227 0.87632 2 .01199 1 .82008 0.90323 2 .05491 1 .82738 3010

3020 0 .84544 1 .96222 1 .81117 0.87256 2 .00596 1 .81902 0.89942 2 .04885 1 .82637 3020

3030 0 .84176 1 .95623 1 .81007 0.86881 1.99995 1 . 81797 0.89562 2 .04281 1 .62536 3030

3040 0 .83809 1 .95027 1 .80896 0.86509 1 .99396 1 .81691 0.89184 2.03680 1 .82434 3040

3050 0 .83444 1 .94433 1 . 80785 0.86139 1 .98 799 1 .81584 0.88809 2 .03081 1 .82332 3050

3060 0 .83081 1 ,93842 1 . 80674 0.85770 1 .98205 1 .81478 0.88435 2 .02484 1 .82230 3060

3070 0 .82720 1 .93252 1 . 80563 0.85404 1 .97613 1 .81371 0.88063 2 .01890 1 .82128 3070

3080 0 .82361 1 .92665 1 . 80451 0.85039 1 .97024 1 . 81264 0.87693 2 .01298 1 .82025 3080

3090 0 .82004 1 .92080 1 .80339 0.84677 1 .96436 1 .81157 0.87326 2 .00708 1.81922 3090

\

234
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

V -(f°-e°)/t s° c° -(f°-e°)/t s° c° -(f°-e°)/t so

cm

T=4100. T=4200. T=4300.

3100 0. 81648 1. 91498 1. 80226 0. 84316 1. 95851 1. 81049 0. 86960 2 .00120 1 .81819 3100

3110 0. 81295 1. 90918 1. 80114 0. 83957 1. 95268 1. 80941 0. 86595 1 .99535 1 .81715 3110

3120 0. 80944 1. 90340 1. 80001 0. 83600 1. 94687 1. 80833 0. 86233 1 .98952 1 .81612 3120

3130 0. 80594 1. 89764 1. 79888 0. 83245 1. 94109 I. 80724 0. 85873 1 .98371 1 .81508 3130

3140 0. 80246 1. 89190 1. 79774 0. 82892 1. 93533 1. 80616 0. 85514 1 .97792 1 .81403 3140

3150 0. 79900 1. 88619 1. 79661 0. 82540 1. 92958 U 80507 0. 85158 1.97215 1 .81299 3150

3160 0. 79556 1. 88050 1. 79547 0. 82191 1« 92387 1. 80398 0. 84803 1 .96641 1 .81194 3160

3170 0. 79213 1. 87482 I. 79432 0. 81843 1. 91817 1. 80288 0. 84450 1 .96068 1 .81089 3170

3180 0. 78873 1. 86917 1. 79318 0. 81497 I. 91249 1. 80178 0. 84099 1 .95498 1 .80984 3180

3190 0. 78534 1. 86355 1. 79203 0. 81153 1. 90684 1. 80068 0. 83749 1 .94930 1 .80878 3190

c°

p -1

3200 0 .78197 1. 85794 1. 79088 0. 80810 1. 90120 1. 79958 0.83402 1 .94364 1. 80772 3200

3210 0 .77861 1. 85235 1. 78973 0. 80469 1. 89559 1. 79847 0.83056 1 .93800 1. 80666 3210

3220 0 .77528 1. 84679 1. 78857 0. 80130 1. 89000 I. 79736 0.82712 1 .93239 1. 80560 3220

3230 0 .77196 1. 84124 1. 78741 0. 79793 1. 88442 1. 79625 0.82369 1 .92679 1. 80453 3230

3240 0 .76865 1. 83572 1. 78625 0. 79458 1. 87887 1. 79514 0.82029 1 .92121 1. 80347 3240

3250 0.76537 1. 83022 1. 78508 0. 79124 1. 87334 1. 79402 0. 8L690 1 .91566 1 .80240 3250

3260 0.76210 1. 82474 1. 78392 0. 78792 1. 86783 1. 79290 0. 81352 1 .91012 1 .80132 3260

3270 0.75885 1. 81927 1. 78275 0. 78461 1. 86234 1. 79178 0. 81017 1 .90461 1 .80025 3270

3280 0.75562 1. 81383 1. 78157 0. 78133 1. 85687 1. 79066 0. 80683 1 .89911 1 .79917 3280

3290 0.75240 I. 80841 1. 78040 0. 77805 1. 85142 1. 78953 0. 80351 1 .89363 1 .79809 3290

3300 0.74920 1. 80301 1. 77922 0.77480 1. 84600 I. 78840 0.80020 1. 88818 1 .79700 3300

3310 0.74601 1. 79763 1. 77804 0.77156 1. 84059 1. 78727 0.79692 1. 88274 1 .79592 3310

3320 0.74284 1. 79227 I. 77686 0.76834 1. 83520 1. 78614 0.79364 1. 87733 1 .79483 3320

3330 0-73969 I. 78692 1. 77567 0.76514 1. 82983 1. 78500 0.79039 1. 87193 1 .79374 3330

3340 0.73655 1. 78160 1. 77449 0.76195 1. 82448 1. 78386 0.78715 1. 86655 1 .79264 3340

3350 0.73343 1 .77630 1. 77329 0.75877 1. 81914 1. 78272 0. 78392 1. 86120 1.79155 3350

3360 0.73033 1 .77101 1. 77210 0.75562 1. 81383 1. 78157 0. 78072 1. 85586 1.79045 3360

3370 0.72724 1 .76575 1. 77090 0.75247 1. 80854 1. 78043 0. 77752 1. 85054 1.78935 3370

3380 0.72416 1 .76050 1. 76971 0.74935 1. 80327 1. 77928 0. 77435 1. 84524 1.78825 3380

3390 0.72110 1 .75528 1. 76851 0.74624 1. 79801 1. 77813 0. 77119 1. 83996 1.78714 3390

3400 0. 71806 1 .75007 1. 76730 0.74314 1. 79278 1. 77697 0. 76804 1. 83470 1.78603 3400

3410 0. 71503 1 .74488 1. 76610 0.74006 1. 78756 1. 77581 0. 76491 1. 82945 1.78492 3410

3420 0. 71202 1 .73971 1. 76489 0.73700 1. 78236 1. 77465 0. 76180 1. 82423 1.78381 3420

3430 0. 70902 1 .73456 1. 76367 0.73395 1. 77718 1. 77349 0. 75870 1. 81902 1.78269 3430

3440 0. 70604 1 .72943 1. 76246 0.73092 1. 77202 1. 77233 0. 75562 1. 81383 1.78157 3440

3450 0. 70307 1 .72431 1. 76124 0.72790 1. 76688 1. 77116 0.75255 1.80866 1 .78045 3450

3460 0. 70012 1 .71922 1. 76003 0.72489 1. 76175 1. 76999 0.74949 1.80351 1 .77933 3460

3470 0. 69718 1 .71414 1. 75880 0.72190 1. 75664 1. 76882 0.74645 1.79838 1 .77821 3470

3480 0. 69426 1 .70908 1. 75758 0.71893 1. 75156 1. 76765 0.74343 1.79326 1 .77708 3480

3490 0. 69135 1 .70404 1. 75635 0.71597 1. 74649 1. 76647 0.74042 1.78816 1 .77595 3490

3500 0. 68846 1.69902 1. 75512 0.71302 1. 74143 1. 76529 0. 73743 1. 78308 1 .77482 3500

3510 0. 68558 1.69401 1. 75389 0.71009 1. 73640 1. 76411 0. 73445 1. 77802 1 .77368 3510

3520 0. 68271 1.68902 1. 75266 0.70718 I. 73138 I. 76292 0.73148 1. 77298 1 .77255 3520

3530 0. 67986 1.68405 1. 75142 0.70427 1. 72638 1. 76174 0. 72853 1. 76795 1 .77141 3530

3540 0. 67702 1.67910 1. 75018 0.70138 1. 72140 1. 76055 0. 72559 1. 76294 1 .77026 3540

3550 0. 67420 1.67416 1. 74894 0.69851 1. 71644 1. 75936 0. 72267 1. 75795 1.76912 3550

3560 0. 67139 1.66925 1. 74770 0.69565 1. 71149 1. 75816 0. 71976 1. 75297 1 .76797 3560

3570 0. 66859 1.66434 1. 74645 0.69280 1. 70656 1. 75697 0. 71686 1. 74802 1 .76682 3570

3580 0- 66581 1.65946 1. 74520 0.68997 1. 70164 1. 75577 0.71398 1. 74308 1 .76567 3580

3590 0. 66304 1*65460 I. 74395 0.68715 1. 69675 1. 75457 0. 71111 1. 73815 I .76452 3590

638951 O - 62 - 17 235
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

V ^0-(f°-e°)/t so c° -(f°-e°)/t S° CO -(fo-eWt so p

0 p 0 cm

T

/ 1 r* A =4100

T =4200. T =4300.

3600 0.66028 1 .64975 1 .74270 0.68435 1 .69187 1 .75336 0.70826 1 .73325 1 .76336 3600

3610 U . 65 IDH 1 .6449

1 . 74144 0.68155 1 . 68701 1 .75216 0.70542 1 .72836 1 . 76221 3610

1 o 36<:0 0 .6548 1 1 .64010 1 • 7401

0. 67878 1 .68216 1 .75095 0. 70259 1.72348 1 .76105 3620

J03U n ^ c o 1 A 1 A a c a A • 63530 1 7 a o A a A A 7 A A 1 0.6 / 60

1 A 7 a a a 6 / / 33 1 7 / A 7 / . /49 74 0. 699 78 1 7 1 ft A "3 • f 1 00 9 1 . 75988 3630

^ iL A 30HU r\ £. /. n J. r\ U . OHyHU 1A a A c a

. 6305Z 1 7 a 7 A A .73/66 0.6 7326 1 .67252 1 7 / oca . 74853 0.69698 11 . r 1 9 f 7 1 .75872 3640

3650 0.64671 1 .62575 1 .73640 0.67052 1 .66773 1 .74731 0.69419 1 .70896 1 .75755 3650

2 z. A n U

ohhU J

1i

1I • ( 50 Ld r\ A A 77 O 1 . 00 ^1 7 9 1 • /HO i U U • OV IH

1 .70416 -11 7 c A a 0. f 3o38 '3 A iL A 9OOU

JO f u U • OH L J f I A 1 A 7 L 7 1 "5 ft A f\ A A n ft 1I A CI ft 1 Q . 0 -> O 1 7 1 7 A A ft ft • f HHO O A A Q O A A U • 0 0 oOO 1I .0779 A QQ "3 7f 1 7 Ci c; a 1 . ( D Dil 1

"3 A 7 A 90 f U

^ Attn 3 o ou n A "3. « 7 9 11 A 1 1 1 f\U A A 9 ^ ft . O O t J o 1A** "7 A A .09 9*tH 11 7 A "3 A . 1 H9O 9 n A ft Q

U . 0 0 9 7 i

1L . AQ0 7HA^9 Q7 1 7 A A ^^/. -a A 0 A 9 0 oU

J O 7 u nu • AO 3 Ao n Q u o

11 A n <L Q c 1 n A (^ Q 7 n 1 A A Q7 1 1 7 A 9 A 1 . / H AH 9 n A Q "3 1 ft U . Oo 9 L 0 1 . Aft 0 0 QH7 0 9 1 7 c; a Q A . 1 D 00 9O7U A Q A

3700 0,63346 1 .60217 1 .73003 0.65702 1 .64399 1 .74120 0.68045 I .68509 1 .75168 3700

"Xt 1 n J f 1 u n A ^ n ft 1 Q 7 n 1i 7 9 O 7 n A C\ A "3 A U • OD H 90 1 A "a Q "a . 0 9 7 9U L 7 -3 QQ Q

. » 9770 r\ A 7 7 7 c; U . 0 r 1 f 9 1 .68036 1 .75050 9 7 1 A 9 1 lU

n A 9 ft c: 1i R O 9 ft *i 1 7 97 A7 nU A A 1 7 1 . 09 i f 1

11 A "a A A 1 . O 9 HO

11 7 a ft 7 A

. f 9 0 / H

n A 7 R U • 0 f 9 u 9

1I A7 e; A c . 0 / Z30 D 1 .74932 "3 7 9 A 9 f aU

"XT "XCi J 1 j\J Ci A 9 R A A 1

c; ft ft 9 1 • 17 a O Z 1

1i 7 9 A 1 Q M A A Q n ft U « On VUO 1 A 9 Q Q . 0 A 7 7 9 11 7 Q 7 C 1 . f J f 9 1 A A 7 9 7 U • 0 f A 9 /

1 . A7nq 0 1 \J 7 AD 1 .74813 1 7 "3 A 9 i 9U

n A ^ n Q 1i C Q O C Q 1 7 9 A Q n A A A A A 1 . 0 A 9 9 U1 7 "3 A 9 ft « f 9 0 A 0 A A A Q A Q U . 00 7O

1 A A A a D

. 000 A 0 1 .74695 "X 7 A A D ( HU

3750 0.62052 1 .57899 1 .72361 0.64384 1 .62066 1 .73504 0.66704 1 .66162 1 .74576 3750

1 "7 A n A 1 7 Q 7 U • O 1 1^1 1ti 7 A A A 1 7 a a a a A A A 1 a A

1 A 1 AAA 1 7 a a Q A • / 3 3oU A A A A a A U • OOH3y 1 .65697 1 .74456 a 7 A A 3 1 oU

i 1 l\j 1 C A A o a

1 7 O 1 A a

. / 1 03 A A a O A A

1 A 1 1 A A .61 i4H 1 7a a c: A A A A 1 7 A U . 00 1 / 0

1I A c; 9 0 A

. 09 A 9 H 1 .74337 a 7 7 A 3 1 / U

a 7 u r\ 3 1 oU 1 C A c a 7 11 7 1 Q 7 a . 1 1 7 f 3 A A a A A O

1 A A A O R

1 7 a 1 a 1 . / 3 1 3 1 A A C A 1 A U . DDy LH 11 A A77 9 . OH f f A 1 .74217 a 7 Q A 3 / oU

3/90 0 . 61040 1 C A A 7 a

. 560 1 3 1 7 1 O / y. . ( 1844 A A a a c a 0. 63352 1 A A a a o .602 28 1 7 a A A A

. / 3006 A A c: A CI a 0. 65653 1 A A 9 1 9 . Oh 9 1

1.74098 a 7 A A 3 (90

3800 0.60790 1 .55620 1 .71714 0.63097 1 .59772 1 .72882 0.65393 1 .63853 1 .73978 3800

3o 1 U

A A A C A 1 1 C C 1 A A 1 7 1 c o a

. 1 1 Do 3 A A a D A a

1 c A a 1 o

• 5y ale 1 .72756 A A c 1 a A U . OD3h 1 .63396 1 .73857 "2 Q l A 90 iU

3o^U A A A O A "a 1 A 7 a A 1 7 1 A Q a A A a C A 1 u . 5y 1 1 C O O A A

I .72631 A A A D 7 7 U. OHO /1 A 9Q A 1 . 0 A 7H1 .73737 0 D 9 A 90 aU

'a3o3U o a n A A A A A A

1 c A a 7 a

1 7 1 a a a. / 1 3^2 A A a a a A U. 33y 1 c o A 1 y. 1 .72506 A A A A a 1 U. os-o^l 1

1X . 0A 9A AOHO 71 1 .73616 ^ Q "2 A 90^U

3o'HJ A C^Q a A 1 U » 5 7 O U 1 1 v a o a R . 5 3o^ D 1 7 1 1 O 1 . / 1 l7l A A a A o o u . u o y i 7 Q A » D / yoo 1 .72380 A A A "a A A U. OH300 L\ A 9 A. « 0 A U 9H 1 .73495 190HU ft AA

3850 0.59557 1 .53380 1 .71060 0.61840 1 .57517 1 .72254 0.64112 1 .61583 1 .73374 3850

Ik3ooU Q A n A c A a 1 a u . 3 1

1 .52936 1 7 A A a A A A 1 C A a U • O 1 Dy^ 1 C 7 A 7 A . D / (J 1 U 1 .72128 A A 3 0 A A U. 09 oOU 1 .61133 1 .73253 90OU 3 Q A A 3H # U

A K O A 7 1 I .52494 1 7 n 70 7 . 1 u / y 1 A A 1 a A R U . O 1 3't 5 1

Ci A A a . Dot) A

1 .72001 A A "3 A A ft U . 0 9 out) 11 . A0 AUOAft0 ^9 1 .73131 190ft 7r AU

-a Q Q A o o a f U . D003

1 .52054 L 7 A A A 1^ . / Uoo 5 Au« oiA 1 AuyyQQ 1

c; A 1 o 1 . Do 1 0 i 1 .71874 A A 1 1 A ft U . 0 9 99 0 1 .60239 I .73009 9,900U ft ft A

O O O A A CI O C A 1 u« Dopy 1 1 .51615 1 7 A c a a A A A O C C

1 c & 7 a o . DD 1 3y 1.71748 A A "1 1 n 0 U . 0 3 1 U 7 1 .59794 1 .72887 T Q Q A 9 0 7U

3900 0.58352 1 .51177 1 .70401 0.60612 1 .55298 1 .71621 0.62861 1 .59350 1 .72765 3900

3y lU A C O 1 1 C U • 3o 1 1 !> 1 .50741 1 7 A a A A A A A a A O 11 A ft Q . 9HO 9 7 1 .71493 A A 9 A 1 A U . 0 aO IH 1 .58908 1 .72643 9^Q7

1 Ai U 3920 0.57879 I .50306 1 .70136 0.60128 1 .54421 1 .71366 0.62368 1 .58467 1 .72520 3920

3930 0.57643 1 .49873 1 .70003 0.59888 1 .53984 1 .71238 0.62124 1 .58027 1 .72397 3930

3940 0.57409 1 .49441 1 .69870 0.59649 1 .53549 1 .71110 0.61880 1 .57589 1 .72274 3940

3950 0.57176 1.49010 1 .69737 0.59412 1 .53116 1 .70982 . 0.61638 1 .57153 1 .72151 3950

3960 0.56944 1 .48581 1 .69603 0.59175 1 .52684 1 .70854 0.61397 1 .56718 1 .72028 3960

3970 0.56713 1 .48154 1 .69470 0.58939 1 .52253 1 .70725 0.61157 1 .56284 1 .71904 3970

3980 0.56484 1 .47728 1 .69336 0.58705 1 .51824 1 .70596 0.60917 1 .55852 1 .71780 3980

3990 0.56255 1 .47303 1 .69202 0.58471 I .51396 1 .70467 0.60679 1 .55421 1 .71656 3 990

4000 0.56027 1 .46880 1 .69067 0.58239 1 .50969 1 .70338 0.60443 1 .54991 1 .71532 4000

COP cm

236
•Table II Harmonic Oscillator Contributions to the Thernaodynamic

Functions (in units of calories, moles, and "K)

V

cm

-(f°-e°)/t S° C°P -(F°-e°)/t S° eg -(F°-e°)/t S° C°

P

V

-1 cm

T = 4400. T = 4500. T= 4600.

100 6 • aZ 9Z.O 8. 78414 1. 98699 6. 87322 8. 82879 1. 98700 6. 91621 8. 87246 1 .98701 100

110 6 . 643 18. 59476 1. 98696 6. 68698 8.63941 1. 98697 6. 72990 8. 68308 1 .98697 110

120 6. 47343 8. 42187 1. 98692 6. 51723 8. 46652 1. 98693 6. 56008 8. 51019 1 .98694 120

130 6. 31760 8. 26283 1. 98687 6. 36133 8. 30748 1. 98688 6. 40411 8. 35115 1 .98690 130

140 6. 17356 8. 11559 1. 98682 6. 21722 8. 16024 1. 98684 6. 25993 8. 20391 1 .98685 140

150 6. 03969 7. 97852 1. 98677 6. 08327 8. 02317 1. 98679 6. 12592 8. 06683 1 .98681 150

160 5. 91466 7. 85030 1. 98672 5. 95817 7. 89494 1. 98674 6. 00075 7. 93861 1 .98676 160

170 5. 79741 7. 72985 1. 98666 5. 84085 7. 77450 1. 98668 5. 88336 7. 81816 1 .98670 170

180 5. 68704 7. 61630 1. 98660 5. 73041 7. 66095 1. 98662 5. 77286 7. 70461 1 .98665 180

190 5. 58282 7. 50889 1. 98653 5. 62612 7. 55354 1. 98656 5. 66849 7. 59720 1 .98658 190

200 5.48410 7. 40700 1 . 98646 5.52733 7. 45164 1 . 98649 5. 56964 7 .49530 1 .98652 200

210 5. 39036 7. 31008 . 98639 5 . 43352 7, 35472 1 . 98642 5. 47576 7 .39838 1 .98646 2 10

220 5.30113 7. 21768 \ . 98631 5 . 34422 7, 262 32 . 98635 5. 38639 7 .30597 1 .98639 220

230 5.21600 7. 12938 1 . 98623 5.25902 7. 17402 1 . 98627 5. 30113 7 .21768 1 .98631 230

240 5.13464 7.04485 1 .98615 5.17759 7. 08949 1 .98620 5. 21962 7 . 13314 1 .98624 240

250 5.05672 6. 96377 \ . 98606 7, 00841 . 9861

5. 14157 7 .05206 1 .98616 250

260 4.98199 6. 88588 . 98597 5 . 02480 6. 9305 7 J \J -J 1L . 98603 5. 06670 6 .97416 1 .98607 260

2 70 4 . 9 1 n ? n 6. 81093 1 . 7 O J U O ^ • y -J ^ f J A^ . ftS \j J JSSJ A\j 1X . 7 O J 7 "T 4. 99477 6 .89921 1.98599 ? 70

280 6. 73871 1 . 7 O ^ r O ^ • O O 1 7 Au . 7H ^"^4 1 . 7 O J O T 4. 92556 6.82699 1 .98590 C. LJ w 290 4.77459 6. 66903 1 .98568 4.81719 6. 71365 1 .98575 4. 85889 6 .75730 1 .98581 290

J w vy 6. 60171 1 • 7 O -? ^ o o « A4 A'^4 1 . ^ O J \J J 4. 79458 6 .68998 1 .98571

^ . O T o 6. 53661 1 • " O J " I 4 AQOQI o • O 1 ^ J

1

J. Q O C C A

« 7 O -1 "t 4.73248 6 .62487 1 .98561

6.47357 1X • Q7 OR 3 J AO ^*T A "^HQ ^ • O D\J7D o . ^ 1 Q 1 O 1L 4. 67245 6 .56183 1 .98551

6. 41248 11 Q Q R 9 A

• 7 O -J ^ *T 4 '%7 ?Q 9 o « 4*^ 7 1 n 1 q Q c -1 -1 . 7 O ^ J J 4. 61436 6 .50073 1 .98541

340 4.47447 6. 35322 1 .98512 4.51672 6. 39783 1 .98521 4. 55809 6 .44147 1 .98530 340

t • uu

6. 29568 1 .98500 A A A 9 9 ^ A A n ^ Q 11 Oft «i 1 n 4. 50354 6 .38392 1 .98519 ^ !>U H • JO f C.O 6. 23976 1 .98488 A AHQ 1

H . *tU V J 1 A 9 Q A. ^ 7 1 Q a AO Q . 70HV0 4. 45061 6 .32800 1 .98507 ^oU

J f U L. 1 An6. 18538 1 .98475 O . 1. Q Q A Q Q 4. 39921 6 .27361 1 .98495 1 7 n

7 A A 1 Q 6. 13245 1 .98461 A n Q 1 A A 1 QQ A7"i 4. 34926 6 .22068 1.98483 ft n 6.08090 1 .98448 A O C^O A Q 6 .

1 "> t; R n J. ^ D D U QQ A AA 4. 30069 6. 16912 1 .98471

400 4.17062 6. 03066 1 .98434 4.21245 6. 07526 1 .98446 4. 25342 6 .11887 1 .98458 400

410 4.12473 5. 98166 1 .98420 4.16649 6. 02626 1 .98433 4. 20740 6.06987 1 .98445 410

420 4.08002 5. 93385 1 .98405 4.12171 5. 97844 1 .98419 4. 16255 6 .02205 1 .98431 420

430 4.03643 5. 88717 1 .98390 4.07806 5. 93175 1 .98404 4. 11883 5 .97536 1 .98418 430

440 3.99392 5. 84156 1 .98375 4.03548 5. 88614 1 .98390 4.07618 5 .92975 1 .98404 440

450 3.95243 5. 79698 1 .98359 3.99392 5. 84156 1 .98375 4. 03456 5 .88516 1 .98389 450

460 3.91 193 5. 75339 1 .98343 3.95334 5. 79796 1 .98359 3. 99392 5 .84156 1 .98375 460

470 3.87236 5. 71073 1 .98326 3.91371 5. 75530 1 .98343 3.95422 5 .79890 1 .98359 470

480 3.83368 5. 66898 1 .98310 3.87497 5. 71355 1 .98327 3. 91541 5 .75714 1 .98344 480

490 3.79587 5. 62809 1 .98292 3.83709 5. 67265 1 .98311 3. 87747 5 .71624 1 .98328 490

500 3.75889 5. 58803 1 .98275 3.80003 5. 63259 1 .98294 3. 84035 5 .67618 1 .98312 500

510 3.72270 5. 54877 1 .98257 3.76377 5. 59333 1 .98277 3. 80402 5 .63691 1 .98296 510

520 3.68727 5. 51027 1 .98239 3.72828 5. 55483 1 .98260 3. 76846 5 .59840 1 .98279 520

530 3.65257 5. 47251 1 .98220 3.69351 5. 51706 1 .98242 3. 73363 5 .56064 1 .98263 530

540 3.61858 5. 43547 1 .98201 3.65945 5. 48001 1 .98224 3. 69951 5 .52358 1 .98245 540

550 3.58527 5. 39910 1.98182 3.62608 5. 44364 1 .98206 3. 66606 5 .48720 1.98228 550

560 3.55262 5. 36339 1 .98163 3.59335 5. 40793 1 .98187 3. 63328 5 .45149 1 .98210 560

570 3.52059 5. 32832 1 .98143 3.56126 5. 37285 1 .98168 3. 60112 5 .41641 1 .98191 570

580 3.48918 5. 29386 1 .98122 3.52978 5. 33839 1 .98148 3. 56957 5 .38194 1 .98173 5 80

590 3.45836 5. 25999 1 .98102 3.49889 5. 30452 I .98129 3. 53862 5 . 34807 I .98154 590

237
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

V -(F°-E°)/T S° C° -(F°-Eg)/T S° C° -(F°-E°)/T S° cm

^

T =4400. T= 4500. T = 4600 .

600 3 .42810 5 .22670 1 .98081 3 .46857 5. 27122 1 .98109 3 .50823 5. 31476 1 .98135 600

610 3 .39840 5 . 19396 1 .98059 3 .43879 5. 23847 1 .98088 3 .47839 5. 28201 1 .98115 610

620 3 . 36922 5 . 16176 1 . 98038 3 .40955 5. 20627 1.98068 3 .44909 5. 24980 1 . 98095 620

630 3 . 34057 5 .13007 1 . 98016 3 .38083 5. 17458 1 . 98046 3 .42030 5. 21811 1 . 98075 630

640 3 .31241 5 .09889 1 . 97993 3 .35261 5 . 14339 1 . 9802 5 3 . 3920

5. 1869 1 1 . 98055 640

650 3 .28473 5 .06819 1 .97971 3 .32486 5. 11269 1 . 98003 3 .36420 5. 15621 1 .98034 650

660 3 .25753 5 .03797 1 .97947 3.29759 5. 08246 1 .97981 3 .33687 5. 12598 1 .98013 660

670 3 . 23078 5 .00821 1 .97924 3 .27077 5. 05269 1 .97959 3 . 30998 5. 09620 1 .97991 670

680 3 . 20447 4 .97888 1 . 97900 3 .24439 5 . 02 336 1 . 97936 3 .28354 5. 06687 1 . 97970 680

690 3 .17858 4 .95000 1 .97876 3 .21845 4. 99447 1 .97913 3 .25753 5. 03797 1 . 97947 690

700 3 . 15312 4.92153 1 .97852 3 .19291 4. 96599 1 . 97890 3 .23193 5. 00949 1 .97925 700

710 3 . 12805 4 .89346 1 .97827 3 . 16778 4. 93792 1 .97866 3 .20674 4. 98142 1 .97902 710

720 3 . 10338 4 .86580 1 .97802 3 . 14304 4. 91025 1 .97842 3 . 18194 4. 95374 1 .97879 720

730 3 .07910 4 .83851 1 . 97776 3 .11869 4. 88296 1 .97817 3 .15752 4. 92645 1 . 97856 730

740 3 .05518 4 .81161 1 .97750 3 . 09471 4. 85605 1 . 97793 3 . I 3347 4. 89953 1 .97832 740

750 3 .03162 4 .78506 1 .97724 3 .07108 4. 82950 1 .97767 3 . 10978 4. 87298 1 .97808 750

760 3 .00842 4 .75888 1 .97697 3 . 04781 4. 80331 1 .97742 3 .08645 4. 84678 1 .97784 760

770 2 .98555 4 .73304 1 . 97670 3 .02488 4. 77746 1 .97716 3 . 06346 4. 82092 1 .97759 770

780 2 .96302 4 .70753 1 .97643 3 .00229 4. 75195 1 . 97690 3 .04080 4. 7954 1 1 . 97734 780

790 2.94082 4 .68236 1 . 97616 Q Q n r\ o 4. 72677 1 . 97664 3 .01846 4. 77022 1 .97709 790

800 2.91893 4 .65750 1 .97588 O c: n n A • y t> oUo 4.70191 1 2 .99645 4. 74535 1 .97683 800

810 2 .89735 4.63296 1 .97559 *> O "3 A /. O 4. 67736 1 .97610 2 .97474 4. 72080 1 .97657 810

820 2 .87607 4 .60872 1 .97531 2 .91507 4. 65311 1 .97583 2 .95333 4. 69655 1 .97631 820

830 2 .85509 4 .58478 1 . 97502 2 .89402 4. 62917 11 07 <^ . V / 5

2 .93222 4. 67259 1 .97605 8 30

840 2 .83439 4 .56112 1 .97472 5 .OfQ 7 ^J^O9 A 4. 60551 i

"7 C O 7 2 .91139 4. 6489 3 1 .97578 840

850 2 .81398 4.53776 1 .97443 O O ~7 O. 03 1 O 4. 58213 1 tyl 4^0 2 .89085 4. 62555 1 .97551 850

860 2 .79383 4 .51466 1 .97413 •> Q 1 "5 *^ 7 4. 55904 1 -97470 2 .87057 4. 60244 1 .97523 860

870 2 .77395 4 .49184 1 . 97382 2 .81262 4. 53621 1 .97441 2 .85057 4. 5796 1 1 .97495 o 7 r\ 880 2 .75434 4 .46929 1 .97351 2 .79294 4. 51364 1. Q 7 A 1 1 2 . 83082 4. 55704 1 .97467 O O A 8o0

890 2 .73498 4 .44699 1 . 97320 2 .77352 4. 49134 1 0 7 0 0 1 2 .81133 4. C 7 / 7 1 534 f 3 1 .97439 o n r\

900 2 .71586 4 .42494 1 .97289 2 .75434 4. 46929 1

Q~7 C 1 »'i 1 iz> L 2 .79209 4. 51267 1 .97410 900

910 2 .69700 4 .40315 1 .97257 2 .73540 4. 44748 1 .97321 2 .77310 4. 49086 1.97381 910

920 2 .67836 4 .38159 1 . 97225 2 .71671 4. 42592 1 .97290 2 . 75434 4. 46929 1 .97351 920

930 2 .65997 4 . 36027 1 . 97 193 2 .69825 4. 40459 1 n 7 1 c f*i . 9 f 2 59 2 .73581 4. 44795 1 .97322 930

940 2 .64180 4 .33918 1 .97160 2 .68001 4. 38350 1 2 .71752 4. 42685 1 .97292 940

950 2 .62385 4 .31832 1 .97127 2 .66200 4. 36263 1 . 97196 2 .69944 4. 40598 1 .97261 950

960 2.60612 4 .29768 1 .97093 2 .64421 4. 34198 1 .97164 2 .68159 4. 38532 1 .97231 960

970 2 .58861 4 .27726 1 . 97059 2 .62663 4. 32155 1 .97132 2 .66395 4. 36488 1 .97200 9 f 0

980 2 .57130 4.25705 1 . 97025 2 .60926 4. 30133 1 .97099 2 .64652 4. 3446 6 1 .97168 a o f\ y ou 990 2 .55420 4 .23705 1 .96991 2 .59209 4. 28132 1 .97066 2 .62929 4. 32464 1 .97137 990

1000 2 .53731 4 .21725 1 . 96956 2 .57513 4. 26152 1 .97033 2 .61226 4. 3048 3 1 .97105 1000

1010 2 .52060 4 . 19765 1 .96920 2 .55337 4. 24192 1 .96999 2 .59544 4. 28522 1 .97073 1010

1020 2 ,50410 4 . 17825 1 .96885 2 .54179 4. 22251 1 .96965 2 .57880 4. 26581 1 .97040 1020

1030 2 .48778 4 .15905 1 .96849 2 .52541 4. 20329 1 .96931 2.56236 4. 24659 1 .97007 1030

1040 2 .47164 4 . 14003 1 .96813 2.50921 4. 18427 1 . 96896 2 .54610 4. 22755 1.96974 1040

1050 2 .45569 4 . 12120 1 .96776 2.49319 4. 16543 1 .96861 2 .53002 4. 20870 1 .96940 1050

1060 2 .43992 4 .10255 1 .96739 2 .47736 4. 14677 1 .96826 2 .51412 4. 19004 1 .96907 1060

1070 2 .42432 4 .08407 1 .96702 2 .46170 4. 12829 1 .96790 2 .49840 4. 17155 I .96872 1070

1080 2 .40889 4 .06578 1 . 96664 2 .44621 4. 10999 1 .96754 2 .48285 4. 15324 1 .96838 1 080

1090 2 .39363 4 .04765 1 .96626 2 .43088 4. 09185 1 .96718 2 .46746 4. 13510 I .96803 1090

CO

P

1/

238
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

V -(f°-e°)/t so c° -(f°-e°)/t s° c° -(f°-eo)/t s° cm

T =4400. T = 4500. T= 4600.

1111 nnUU 2 .37854 4 .02970 1I Q A q a o 2 .41573 A,

VJ 1 ^ O 7

1

1. OA AQ 1 . 7 O O O L C, • ^ J £. c. J 4. 11713 1 .96768 1 1 nn IIIO 2 .36361 4 .01191 1 .96550 2 .40073 4. 05609 1 .96644 2.43719 4. 09932 1 .96733 1110

1120 2 .34884 3 .99428 1 .96511 2 .38590 4. 03846 1 .96607 2.42230 4. 08168 1 .96697 1120

1130 2 .33423 3 .97682 1 .96471 2 .37122 4. 02098 1 .96569 2.40756 4. 06420 1.96661 1130

1140 2 .31977 3.95951 1 .96432 2 .35670 4. 00366 1 .96531 2.39298 4. 04687 1 .96625 1140

1 1 2. 30546 3 .94236 1 2 .34233 D . 7 O O J O 1 C.? » D^7flS4 % O J ^ 4. 02970 \ . 96588

1160 2 .29130 3 .92535 1 .96351 2 .32811 3. 96949 1 .96455 2.36426 4. 01268 1 .96551 1160

1170 2 .27729 3 .90850 1 .96311 2.31403 3. 95263 1 .96416 2,35012 3. 99581 1 .96514 1170

1180 2 .26342 3 .89180 1 .96270 2 .30009 3. 93592 1 .96376 2.33613 3. 97909 1 .96476 1180

1190 2 .24969 3 .87523 1 .96228 2 .28630 3. 91934 1 .96337 2.32227 3.96251 1 .96439 1190

2.23609 3 .85882 1 . y o i. o 1 2 .27265 \ , ~ C. 7 ^ . 7 U c. 7 1 ^ . D\J KJ J ^ 3.94607 1 . 96400 1 ?nn

1210 2 .22264 3.84254 1 .96145 2 .25913 3. 88663 1 .96257 2.29498 3. 92977 1 .96362 1210

1220 2 .20932 3 .82639 1 .96102 2 .24575 3. 87048 I .96216 2.28154 3. 91361 1 .96323 1220

1230 2 .19613 3.81039 1 .96060 2 .23249 3. 85446 1 .96175 2.26822 3. 89759 1 .96284 1230

1240 2 .18307 3 .79451 1 .96017 2 .21937 3. 83358 1 .96134 2.25504 3. 88170 1 .96245 1240

1250 2 .17014 3 .77877 I .95973 2 .20638 3. 82283 \ . 96093 2.24199 3. 86594 1 .96205 1250

1260 2 .15733 3 .76316 1 .95930 2 . 19351 3. 80720 1 .96051 2.22906 3. 85030 1 .96165 1260

1270 2 .14465 3 .74767 1 .95885 2 .18076 3. 79171 1 .96009 2.21625 3. 83480 1 .96124 1270

1280 2 . 13209 3 .73231 1 .95841 2 . 16814 3. 77633 1 .95966 2.20357 3. 81942 1 .96084 1280

1290 2 .11964 3 .71707 1 .95796 2 .15563 3. 76108 1 .95924 2. 19100 3. 80416 1 .96043 1290

1300 2 . 10732 3 .70195 1± . 9575

2 . 14325 ^ . 74596 .95881 2. 17856 3. 78902 . 96002 1300

1310 2 .09511 3 .68695 1 .95706 c . 1 3098 3. 73095 1 .95837 2.16623 3. 77401 1 .95960 1310

1320 2 .08302 3 .67207 1 .95660 2 .11882 3. 71606 1 .95793 2.15401 3. 75910 1 .95918 1320

1330 2 .07103 3 .65731 1 .95614 2 .10677 3. 70128 1 .95749 2.14191 3. 74432 1 .95876 1330

1340 2 .05916 3 .64266 1 .95568 2 .09484 3. 68662 1 .95705 2.12991 3. 72965 1 .95833 1340

2 .04740 3 .62812 1L 2 .08302 X KJ 1 C.\J 1 1 • 7 13 oo u £. • L L 0\j J 3. 71509 1X . 7 J 1 7 1. 1 R n 1360 2 .03574 3 .61369 1 .95474 c (171 m 3. 65763 1 .95615 2.10625 3. 70064 1 .95747 1360

1370 2.02419 3 .59937 1 .95427 2 .05969 3. 64330 1 .95570 2.09458 3. 68630 1 .95704 1370

1380 2 .01275 3 .58516 1 .95379 2 .04818 3. 62908 1 .95524 2.08302 3.67207 1 .95660 1380

1390 2 .00140 3 .57105 1 .95331 2 .03677 3. 61497 1 .95478 2.07155 3. 65795 1 .95616 1390

A ^ U U 1.99016 3 .55705 L 2 .02547 •1J)

AOO U HQU 7 Ao

11 ^"? • C\f\C\ U OU 1

1 Q

3. 64393 1 .95572 1 4nn

1410 1.97902 3 .54316 1 .95234 2 .01427 3. 58705 1 .95385 2.04893 3. 63001 1 .95527 1410

1420 1 .96797 3 .52936 1 .95185 2 .00316 3. 57324 1 .95338 2.03776 3. 61619 1 .95482 1420

1430 1 .95703 3 .51567 1 .95135 1 .99215 3. 55954 1 .95291 2.02669 3. 60247 1 .95437 1430

1440 1 .94618 3 .50207 1 .95086 1 .98124 3. 54593 1 .95243 2.01572 3. 58886 1 .95391 1440

1.93542 3 .48857 . 7 J VJ -J o 1 .97042 -1 K :i 7 A o 11 • Q*^ 7 U 1 Q" Ao fc. • UVJ *T O -> 3. 57534 1 .95346 1 Win

1460 1 .92475 3 .47517 1 .94985 I .95969 3. 51900 1 .95147 1.99406 3. 56191 1 .95299 1460

1470 1 .91418 3 .46186 1 .94934 1 .94906 3. 50568 1 .95099 1.98337 3. 54858 1 .95253 1470

1480 1 .90369 3 .44864 1 .94883 1 .93852 3. 49246 1 .95050 1.97276 3. 53535 1 .95206 1480

1490 1 .89330 3 .43552 1 .94832 1 .92806 3. 47933 1 .95001 1.96225 3. 52220 1 .95159 1490

1500 1 .88299 3 .42249 1 .94780 1 .91769 3. 46628 1 .94951 1.95183 3. 50915 1.95112 1500

1510 1 .87277 3 .40955 1 .94728 1 .90741 3. 45333 1 .94902 1.94149 3. 49619 1 .95064 1510

1520 1 .86264 3 .39670 1 .94676 1 .89722 3. 44047 1 .94851 1.93123 3. 48331 1 .95016 1520

1530 1 .85259 3 .38394 1 .94623 1 .88711 3. 42769 1 .94801 1.92106 3. 47053 1 .94968 1530

1540 1 .84262 3 .37126 1 .94570 1 .87708 3. 41500 1 .94750 1.91098 3.45783 1 .94919 1540

1550 1 .83273 3 .35867 1 .94517 1 .86713 3. 40240 1 .94699 1.90097 3. 44521 1 .94870 1550

1560 1 .82293 3 .34616 1 .94463 1 .85727 3. 38988 1 .94648 1.89105 3. 43268 1 .94821 1560

1570 1 .81321 3 .33374 1 .94409 I .84748 3. 37745 1 .94596 1.88121 3. 42024 1 .94771 1570

1580 I .80356 3 .32139 1 .94355 1 .83778 3. 36509 1 .94544 1.87145 3. 40787 1 .94722 1580

1590 1 .79399 3.30913 1 .94300 1 .82815 3. 35282 1 .94492 1.86176 3. 39559 1 .94671 1590

c°

p cm

239
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

cm

-1

{f°-e°)/t s° c°

p

-(F0-E°)/T so c°

p

-(f°-e°)/t s° CO

p cm

T=4400. T=4500. T=4600.

1600 1 .78450 3 .29695 1 . 94245 1 .81860 3 .34063 1 .94439 1 .85215 3. 38338 1 .94621 1600

1610 1 .77509 3 .28485 1 .94190 1 .80912 3 .32851 1 . 94386 1 .84262 3. 37126 1 .94570 1610

1620 1 . 76575 3 .2728 3 1 .94134 1 . 79972 3 .31648 1 .94333 1 .83316 3. 3592 1 1 .94519 1620

1630 1 .75648 3 .26088 1 .94078 1 .79040 3. 30452 1 .94280 1 .82378 3. 34724 1 .94468 1630

1640 1 .74729 3 .24902 1 . 94022 1 .78115 3 .29264 1 .94226 1 .81447 3. 33535 1 .94416 1640

1650 1 . 738 1

3 .23722 1 .93966 1 .77197 3 .28084 1 .94172 1 . 80523 3. 32353 1 . 94364 1650

1660 1 .72912 3 .22550 1 .93909 1 . 76286 3 .2691

I .94117 1 . 79607 3. 31179 1 .94312 1660

1670 1 •72014 3 .21386 1 .93851 1 .75382 3 .25745 1 . 94062 1 .78697 3. 300 12 1 .94260 1670

1680 1 .71123 3 .20229 1 .93794 1 .74485 3 .24586 1 .94007 1 .77794 3. 28853 1 .94207 1680

1690 1 .70239 3 .19079 1 .93736 1 .73595 3 .23435 1 .93952 1 .76899 3. 27700 1 .94154 1690

1700 1 .69361 3 . 17936 1 .93678 1 . 727 12 3 .22291 1 .93896 1 . 76010 3. 26555 1 .94100 1700

1710 1 .68491 3 . 16800 1 .93619 1 .71835 3.21154 1 . 93840 1 .75128 3. 25417 1 . 94047 1710

1720 1 .67627 3 . 15672 1 .93560 1 .70965 3 .20024 1 . 93784 1 . 74252 3. 24285 1 .93993 1720

1730 1 .66769 3 . 14550 1 .93501 1 .70102 3 . 1 8901 1 .93727 1 .73383 3. 23161 1 .93938 1730

1740 1 .65918 3 .13434 1 .93442 1 .69245 3 . 17784 1 .93670 1 .72520 3. 22043 1 .93884 1740

1 750 1 . 65074 3 . 12326 1 .93382 1 .68394 3 . 16675 1 .93613 1 .71664 3. 20932 1 .93829 1750

1760 1 . 64235 3 .11224 1 . 93322 1 . 67550 3 .15572 1 .93555 1 .70814 3. 19828 1 .93774 1760

1770 1 .63403 3 . 10129 I .93261 1 . 667 12 3 . 14475 1 . 93497 1 .69971 3. 18730 1 .93718 1770

1780 1 .62577 3 .09041 1 .93200 1 .65881 3 .13385 1 .93439 1 .69134 3. 17639 1 .93662 1780

1790 1 .61758 3 .07958 I .93139 1 .65055 3 . 12302 1 .93380 1 .68302 3. 16554 1 .93606 1790

1800 1 . 60944 3 .06883 1 .93078 1 . 64235 3 .11224 1 .93322 1 . 674 77 3. 1 5476 1 .93550 1800

1810 1 .60136 3 .05813 1 .93016 1 . 63422 3 . 10154 1 .93263 1 . 66658 3. 14404 1 .93493 1810

1820 1 .59334 3 .04750 1 . 92954 1 .62614 3 .09089 1 . 93203 1 . 65844 3. 13338 1 .93436 1820

1830 1 .58538 3 .03693 1 .92892 1 .61812 3 .08030 1 .93143 1 .65037 3. 12278 1 .93379 1830

1840 1 .57748 3 .02642 1 .92829 1 .61016 3 .06978 1 .93083 1 .64235 3. 11224 1 .93322 1840

1850 1 . 56963 3 .01597 1 .92766 1 .60225 3 .05932 1 .93023 1 .63439 3. 10177 1 .93264 1850

1860 1 .56184 3 .00558 1 .92703 1 . 59441 3 .04891 1 . 92962 1 .62649 3. 09135 1 .93206 1860

1870 1 .55411 2.99525 1 .92639 1 .58661 3 .03857 1 .92901 1 .61864 3. 08099 1 .93147 1 870

1880 1 .54643 2 .98497 1 .92575 1 .57888 3 .02828 1 .92840 1 .61085 3. 07069 1 .93089 1880

1890 1 .53880 2 .97476 1 .92511 1 .57119 3 .01805 1 .92779 1 .60311 3. 06045 1 .93030 1890

1900 1 .53123 2 .96460 1 . 92446 1 . 56357 3 .00788 1 .92717 1 .59543 3. 05027 1 . 92970 1900

1910 1 .52371 2 ,95450 1 .92381 1 .55599 2 .99777 1 .92655 1 .58780 3. 04014 1 .92911 1910

1920 1 .51625 2 .94446 1 .92316 1 . 54847 2 . 98771 1 .92592 1 .58022 3. 03007 1 .92851 1920

1930 1 .50884 2 .93447 1 .92251 1 .54100 2 .97770 1 .92529 1 . 57269 3. 02005 I .92791 1930

1940 1 .50148 2 .92453 1 .92185 1 .53358 2 .96776 1 .92466 1 .56522 3. 01009 1 .92730 1940

1950 1 .49417 2 .91466 1 .92119 1 .52621 2 .95786 1 .92403 1 .55780 3. 00018 1 .92670 1950

1960 1 .48691 2 .90483 1 .92052 1 .51890 2 .94802 1 . 92339 1 .55043 2. 99033 1 .92608 1960

1970 1 .47970 2 .89506 1 .91985 1 .51163 2 .93824 1 .922 7 5 1 . 54310 2. 98053 1 .92547 1970

1980 1 .47254 2 .88534 1 .91918 1 .50441 2 . 92850 1 .92211 1 .53583 2. 97078 1 .92486 1980

1990 1 .46543 2 .87567 1 .91851 1 .49725 2 .91882 1 .92147 1 .52861 2. 96108 1 .92424 1990

2000 1 .45836 2 . 86606 1 .91783 1 .49013 2.90919 1 .92082 1 .52144 2. 95144 1 .92361 2000

2010 1 .45135 2 .85649 1 .91715 1 .48305 2 . 89961 1 .92016 1 .51431 2. 94185 1 .92299 2010

2020 1 .44438 2 .84698 1 .91647 1 .47603 2 . 89008 1 .91951 1 .50723 2. 93230 1 .92236 2020

2030 1 .43746 2 .83752 1 .91578 1 .46905 2 . 88061 I .91885 1 .50020 2. 92281 1 .92173 2030

2040 1 .43059 2 .82811 1 .91509 1 .46212 2 .87118 1 .91819 1 .49322 2. 91337 1 .92110 2040

2050 1 .42376 2 .81874 1 .91440 1 .45524 2 . 86180 1 .91753 1 .48628 2. 90398 1 .92046 2050

2060 1 .41698 2 .80943 1 .91370 1 .44840 2 .85247 1 .91686 1 .47938 2. 89463 I .91982 2060

2070 I .41024 2 .80016 1 .91300 1 .44161 2 .84319 I .91619 1 .47254 2. 88534 1.91918 2070

20ao 1 .40355 2 .79095 1 .91230 1 .43486 2 . 83396 1 .91552 1 .465/3 2. 87609 1.91854 2080

2090 1.39690 2 .78178 1 .91160 1 .42815 2 . 82477 1 .91484 1 .45898 2. 86689 1 .91789 2090

240
cm

-1

Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

(f°-e°)/t s° c°

p

-(f°-e°)/t s° (f°-e°)/t s° c°

p

V

-1

T =4400. T =4500. T =4600.

2100 1 .39030 2 .77265 I .91089 1 .42149 2 .81563 1 .91417 1 .45226 2 .85774 1 .91724 2100

2110 1 .38373 2 .76358 1 .91018 1 .41488 2 .80654 1 .91349 1 .44559 2 .84863 1 .91659 2110

2120 1 .37722 2 .75455 1 . 90946 l . 40830 2 . 79750 1 .91280 1 .43896 2 . 83957 1 .91593 2120

2110 I . 37074 2 .74556 1 . 90875 1 .40177 2 . 78850 1 .91211 1 .43238 2 .83056 1 .91527 2130

2 140 1 . 36431 2 .73662 1 . 90803 1 .39528 2 .77954 1 . 91 142 1 .42583 2 .82159 1 .91461 2140

2150 1 .35792 2 .72773 1 .90730 1 .38883 2 .77063 1 .91073 1 .41933 2 .81266 1 .91394 2150

2160 1 . 35156 2 .71888 1 . 90658 1 . 38243 2 . 76177 I .91003 1 .41287 2 .80378 1 .91328 2160

2170 1 .34526 2 .71008 1 .90585 1 .37606 2 .75295 1 .90934 1 .40645 2 . 79495 1 .91261 2170

2180 1 .33899 2 .70132 1 .90511 1 . 36974 2 .74417 1 . 90863 1 .40007 2 .78616 1 .91193 2180

2 190 1 .33276 2 .69260 I . 90438 1 . 36345 2 .73544 I . 90793 1 . 393 74 2 .77741 I .91126 2190

2200 1 .32657 2 .68392 1 .90364 1 .35721 2 .72675 1 .90722 1 .38744 2 . 76870 1 .91058 2200

2210 1 .3204 2 2 .67529 1 .90290 I .35100 2 .71810 1 .9065 1 1 .38118 2 . 76004 1 .90990 2210

2220 1 .31431 2 . 66670 1 .90215 1 . 34484 2 . 70949 1 . 90580 1 .37496 2 .75142 1 .90921 2220

2230 1 . 30823 2 .65816 1 .90141 1 .33871 2 . 70093 I . 90508 1 . 36878 2 .74284 1 .90853 2230

2240 1 .30220 2 . 64965 1 . 90066 1 .33262 2 .69241 1 . 90436 1 .36264 2 .73430 1 .90784 2240

2250 i .29620 2 .64119 1 .89990 1 .32657 2 .68392 1 .90364 1 .35653 2 .72580 1 .90714 2250

2260 1 .29024 2 .63276 1 .89915 1 .32055 2 .67548 1 . 90292 1 .35046 2 .71735 1 .90645 2260

2270 1 .28432 2 .62438 1 . 89839 1 . 31458 2 .66708 1 .90219 1 . 34444 2 .70893 1 .90575 2270

2280 1 .27844 2 .61604 1 .89762 1 . 30864 2 .65372 1 .90146 I .33844 2 .70056 1 .90505 2280

2290 1 .27259 2 .60773 1 . 89686 1 .30273 2 .65040 1 .90072 1 . 33249 2 .69222 1 .90435 2290

2300 1 .26678 2 .59947 1 .89609 1 .29687 2 .64212 1 .89999 1 .32657 2 .68392 1 -90364 2300

2310 1 .26100 2 .59125 1 . 89532 1 .29104 2 .63388 1 .89925 1 . 32068 2 .67567 1 .90293 2310

2320 1 .25526 2 .58306 1 . 89454 1 .28524 2.62568 I .89850 1 . 3 1484 2 .66745 1 . 90222 2320

2330 1 .24955 2 . 57491 I . 89377 1 .27948 2 .61752 1 . 89776 1 .30902 2.65927 I .90150 2330

2340 1 . 24388 2 .56680 1 . 89299 1 .27375 2 .60939 1 . 89701 1 . 30325 2 .65113 1 .90079 2340

2350 1 .23825 2 .55873 1 . 89220 1 .26306 2 .60130 1 .89626 1 .29750 2 .64302 1 .90007 2350

2360 1 .23264 2 .55070 1 .89142 1 .26241 2 .59325 1 .89551 1 .29179 2 .63496 1 .89934 2360

2370 1 .22708 2 .54270 1 . 89063 .25679 2 .58524 . 89475 1 .28612 2 .62693 1 . 89862 2370

2380 1 .22154 2 .53475 1 . 88984 1 .25120 2 .57726 1 . 89399 1 .28048 2 .61893 1 .89789 2380

2390 1 . 21604 2 . 52682 1 . 88904 1 . 24564 2.56932 1 .89323 1 .27487 2 .61098 I . 89716 2390

2400 1 .21057 2 .51894 1 .88824 1 .24012 2 . 56142 1 .89246 1 .26930 2 .60306 1 .89642 2400

2410 1 .20514 2 .511C9 1 .88744 1 .23463 2 .55355 1 .89170 1 .26376 2 .59517 1 .89569 2410

2420 1 . 19973 2 .50327 1 .88664 1 .22917 2.54572 1 . 89093 1 .25825 2 . 58733 1 .89495 2420

2430 1 . 19436 2 .49550 1 . 88583 1 .22375 2 .53792 1 . 89015 1 .25277 2 .57951 I .8942

2430

2440 1 . 18902 2 .48775 1 . 88502 1 .2 1836 2.53016 1 . 88938 1 .247 33 2 .57174 1 . 89346 2440

2450 1 .18372 2 .48004 1 .88421 1 .21300 2 .52244 1 . 88860 1.24192 2 .56399 1 .89271 2450

2460 1 .17844 2.47237 1 .88339 1 .20767 2 .51475 1 .88782 1 .23654 2 .55628 1 .89196 2460

2470 1 .17320 2 .46473 \ . 88257 1 .20237 2 .50709 I . 88703 1 .23119 2 .54861 1 .89121 2470

2480 1 .16798 2 .45713 1 .88175 1 .19710 2 .49947 1 . 88624 1 .22587 2.54097 I .89046 2480

2490 1 . 16280 2 .44956 1 .88093 1 .19187 2 .49188 1 . 88545 1 .22058 2 .53337 1 . 88970 2490

2500 1 . 15765 2 .44202 1 . 88010 1 . 18666 2 .48432 1 .88466 1 .21532 2 .52579 1 . 88894 2500

2510 1 . 15253 2 .43452 1 . 87927 1 .18149 2 .47680 1 .88386 1 .21010 2 .51825 1 .88817 2510

2520 I .14743 2 .42705 1 .87844 1 . 17634 2 .46931 1 .88307 1 .20490 2 .51075 1 .88741 2520

2530 1 . 14237 2 .41961 1 .87760 1 .17122 2 .46186 1 .88226 1 . 19973 2 .50327 1 .88664 2530

2540 1 .13734 2 .41220 1 .87677 1 . 16614 2 .45443 1 .88146 1 . 19460 2 .49583 1 .88587 2540

2550 1 . 13233 2 .40483 1 .87592 1 . 16108 2 .44704 1 .88065 1 . 18949 2 .48842 1 .88509 2550

2560 1 .12736 2 .39749 1 . 87508 1 .15605 2 .43968 1 .87984 1 . 18441 2 .48105 1 .88431 2560

2570 1 .12241 2 .39018 1 .87423 1 .15105 2 .43235 1 . 87903 1 . 17936 2 .47370 1 .88354 2570

2580 1 .11749 2 .38290 1 . 87338 1 .14608 2 .42506 1 .87822 1 . 17434 2 .46639 1 .88275 2580

2590 1 .11260 2 .37566 1 .87253 1 .14114 2 .41779 1 . 87740 1 . 16934 2 .45911 1 .88197 2590

241
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

cm

-1

(F°-Eo)/T S° C°P -(f°-e°)/t so c°

p

-(f°-e°)/t s° c°

p

T=4A00. T=4500. T='V600.

2600 1 . 10774 2 .36844 1 .87167 1 .13622 2 .41056 1 .87658 1 . 16438 2 .45186 1 .88118 2600

2610 1 . 10290 2 .36126 1 .87082 1 .13134 2 .40336 1 .87576 1 .15944 2 .44464 1 .88039 2610

2620 1 .09809 2 .35411 1 .86996 1 .12648 2 .39619 I . 87493 1 .15453 2 .43745 1 .87960 2620

1L • <-/ 7 -J J X 0c . JAAQQ J T VJ 7 7 1 1 1 ? 1 (~lU . it i OH L . O f H i U 1 • i 7 0*T 9 A an ?

q

1 fi 7 ft nn 2640 I .08856 2 .33989 1 .86822 1 .11684 2 .38194 1 .87327 1 . 14479 2 .42316 1 .87800 2640

2650 i .08383 2 .33283 1 .86735 1 .11206 2 .37486 1 .87244 1 .13996 2 .41606 I .87720 2650

2660 1 .07913 2 .32580 1 .86648 1 . 10731 2 .36780 1 .87160 1 .13516 2 .40899 1 .87640 2660

2670 I .07446 2 .31880 1 .86561 1 . 10258 2 . 36078 1 .87076 1 . 13038 2 .40195 1 .87559 2670

2680 I . 0698 1 2 .31183 \ . 86473 L . 09788 2 . 35 379 1L . 86992 \ .. 1X £.? SJ AU I?^ ? . J 7 7 t

1X R747Q A O O U 2690 1 .06519 2 .30488 1 .86385 1 .09321 2 .34683 1 .86907 1 . 12091 2 .38796 1 .87397 2690

2700 1 .06060 2 .29797 1 .86296 1 .08856 2 . 33989 1 . 86822 1 .11621 2 .38101 1 .87316 2700

2710 1 .05603 2 .29108 1 .86208 I .08394 2 .33299 1 .86737 1 .11154 2 . 37409 1 .87234 2710

2720 1 .05148 2 . 28423 1 .86119 1 .07934 2 .32611 1 .86652 1 . 10689 2 .36719 1 .87153 2720

2730 I . 04696 2 .27740 1 . 86030 1

J. . 07477 2 .31927 1X . 86567 1 ^ A 0 ^ 1X ? 7 2740 1 .04247 2 .27060 1 .85940 1 .07023 2 .31245 1 . 86481 1 .09768 2 . 35349 1 .86988 27^0

2750 1 .03800 2 .26383 1 .85850 1 .06570 2 .30565 1 .86395 1 .09311 2 . 34668 1 .86905 2750

2760 1 .03355 2 .25708 1 . 85760 1 .06121 2 .29889 1 . 86308 1 .08856 2 . 33989 1 .86822 2760

2770 1 .02913 2 .25036 1 .85670 1 .05674 2 .29215 1 .86222 1 .08404 2 .33314 1 .86739 2770

i. Cl ? 4 7 ^ 2 .24368 11 . o J u o u

11 n c 7 o q 2 .28544 1i1

i. n 7 q c; A y :i p A A 1 . J A D*t X

1 OA AC A A f O U

2790 1 .02036 2 .23701 1 .85489 1 .0^786 2 .27876 1 .86048 1 .07507 2 .31971 1 .86572 2790

2800 1 .01601 2 .23038 1 .85398 1 .04346 2 .27211 1 .85960 1 .07062 2 .31304 1 .86488 2800

2810 1 .01169 2 .22377 1 .85306 1 .03909 2.26548 1 .85872 1 .06619 2 .30639 1 .86404 2810

2820 1 .00739 2 .21719 1 .85215 1 .03474 2 .25888 1 .85784 1 .06179 2 .29977 1 .86320 2820

£. O J \J 1L « \J\J DLL 2 .21064 1X 1

i. 2 .25230 1L

oc; AOA . O J O 7 o

1X n R 74

. A 7 J X O

1L . O O A J -? A O 2840 0 .99885 2.20411 1 .85031 1 .02610 2 .24575 1 .85608 1 .05306 2 .28661 1 .86150 2840

2850 0 .99462 2 . 19760 1 .84938 1 .02182 2 .23923 1 .85519 1 .04873 2 .28007 1 .86065 2850

2860 0 .99041 2 .19113 1 .84845 1 .01756 2 .23273 I .85430 1 .04442 2 .27355 1 .85979 2860

2870 0 .98622 2 .18468 1 .84752 I .01332 2 .22626 1 -85341 1 .04013 2 .26706 1 .85893 2870

O O V . 7 O C.\J O 2 . 17825 1

i. o A i c q 1 .00910 2 .21982 1L

1L n ^ c u 7 O • ^9 Afi o uoA nu 1 ft S H n 7 2890 0 .97792 2 .17185 1 .84565 1 .00491 2 .21340 1 .85162 1 .03163 2 .25416 1 .85721 2890

2900 0 .97380 2 . 16548 1 .84472 1 .00074 2 .20701 1 .85072 1 .02741 2 .24774 1 .85635 2900

2910 0 .96970 2 .15913 1 .84378 0 .99659 2 .20064 1 .84981 1 .02321 2 .24136 1 .85548 2910

2920 0 .96562 2 .15281 1 .84283 0 .99247 2 .19429 1 .84391 1 .01904 2 .23499 1 .85461 2920

9 Q ^ n /

u Q A 1 ^ 7 2 . 14651 I 0 .98836 2 .18797 1i 1 .01488 9 9 Q A c: • ^ ^ 0 O I> 1i O c; -a 7A • ODD f H

2940 0 .95753 2 . 14024 1 .84094 0 .98428 2 .18168 1 .84709 1 .01075 2 .22234 1 .85286 2940

2950 0 .95352 2 .13399 1 . 83999 0.98021 2 .17541 1 .84617 1 .00664 2 .21605 1 .85199 2950

2960 0 .94953 2 .12776 1 .83903 0 .97617 2 . 16916 1 .84526 1 .00255 2 .20978 1 .85111 2960

2970 0 .94556 2 .12156 1 .83808 0 .97215 2 .16294 1 .84434 0 .99848 2 .20354 1 .85022 2970

2980 0 .94161 2 .11538 1 .83712 0 .96815 2 .15674 1 .84342 0 .99444 2 . 19732 1 .84934 2980

2990 0 .93768 2 . 10923 1 .83615 0 .96418 2 . 15057 I .84250 0 .99041 2 .19113 1 .84845 2990

3000 0 .93377 2 .10310 1 .83519 0 .96022 2 . 14442 1 .84157 0 .98640 2 .18496 1 .84756 3000

3010 0 .92989 2 .09700 1 .83422 0.95628 2. 13829 1 .84064 0 .98242 2 .17881 1 .84667 3010

3020 0 .92602 2 .09091 1 .83325 0 .95237 2 .13219 1 .83971 0 .97846 2 . 17269 1 .84578 3020

3030 0 .92217 2 .08486 1 .83228 0 .94847 2 . 1261

1 .83878 0 .97451 2 . 16659 1 .84488 3030

3040 0 .91834 2 .07882 1 .83131 0 .94459 2. 12005 1 . 83784 0.97059 2 .16051 1 .84398 3040

3050 0 .91454 2 .07281 1 .83033 0.94074 2 .11401 1 .83690 0 .96668 2 . 15446 1 .84308 3050

3060 0 .91075 2 .06682 1 .82935 0 .93690 2 .10800 1 .83596 0.96280 2 . 14842 1 .84217 3060

3070 0 .90698 2 .06085 1 .82837 0 .93308 2 . 10202 1 .83502 0 .95893 2 . 14242 1 .84127 3070

3080 0 .90323 2 .05491 1 .82738 0 .92928 2 .09605 1 .83407 0 .95509 2 .13643 1 .84036 3080

3090 0 .89950 2 .04899 1 .82639 0 .92550 2 .09011 1 .83312 0 .95126 2 . 13047 1 .83945 3090

242
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

V -(f°-e°)/t s° c° -(f°-e°)/t s° c° -(f°-e°)/t s° ^

U P

^ u cm

T =4400. T =4500. T =4600.

3100 0.89579 2 .04309 1 . 82540 0.92175 2 . 08418 1 .83217 0.94746 2 .12452 1 .83853 3100

3110 0.89210 2 .03721 1 .82441 0.91800 2 .07829 1 .83122 0.94367 2 .11860 1 .83762 3110

3120 0.88843 2 .03135 1 .82341 0.91428 2 .07241 1 .83026 0.93990 2 . 11271 1 .83670 3120

3130 0.88477 2 .02552 1 .82242 0.91058 2 .06655 1 . 82931 0.93615 2 . 10683 I .83578 3130

31^0 0.88114 2 .01971 1 .82142 0.90690 2 .06072 1 .82834 0.93242 2 .10098 1 .83485 3140

3150 0.87752 2 .01392 1 .82041 0.90323 2 .05491 1 , 82738 0.92871 2 .09514 1 .83393 3150

3160 0.87392 2.00815 1 .81941 0.89958 2 .04912 1 .82642 0.92501 2 .08933 1 .83300 3160

3170 0.87034 2 .00240 1 .81840 0.89596 2 .04335 1 . 82545 0.92134 2 .08354 1 .83207 3170

3180 0.86678 1 .99668 1 . 81739 0.89235 2 .03760 1 .82448 0.91768 2 .07777 1 .83114 3180

3190 0.86324 1 .99097 1 .81638 0.88875 2 .03187 1 .82350 0.91404 2 .07203 1 .83020 3190

3200 0.85971 1 .98529 1 .81536 0.88518 2 .02617 1 .82253 0.91042 2 .06630 1 .82926 3200

3210 0.85620 1 .97963 1 .81434 0.88162 2 .02048 1 .82155 0.90682 2 .06059 1 .82832 3210

3220 0.85271 1 .97399 1 .81332 0.87808 2 .01482 1 .82057 0.90323 2 .05491 1 .82738 3220

3230 0.84924 1 .96836 1 .81230 0. 87456 2 . 00917 1 .81959 0.89966 2 .04924 1 .82644 3230

3240 0.84578 1 .96276 1 .81127 0.87106 2 .00355 1 .81860 0.89611 2 .04360 1 . 82549 3240

3250 0.84234 1 .95718 1 .81024 0.86757 1 .99795 1 .81761 0.89258 2 .03797 1 .82454 3250

3260 0.83892 1 .95162 1 .80921 0.86410 1 .99237 1 .81662 0.88906 2 .03237 1 .82359 3260

3270 0.83552 1 .94608 1 .80818 0.86065 1 .98680 1 .81563 0.88557 2 .02679 1 .82263 3270

3280 0.83213 1 .94056 1 .80715 0.85721 1 .98126 1 .81464 0.88208 2 .02122 1 .82168 3280

3290 0.82876 1 .93506 1 .80611 0.85379 1 .97574 1 .81364 0.87862 2 .01568 1 .82072 3290

3300 0. 82540 1 .92958 1 . 80507 0. 85039 1 . 97024 1 .81264 0.87517 2 .01015 1 .81976 3300

3310 0.82206 1 .92412 1 .80402 0.84701 1 .96475 1 .81164 0.87174 2 .00465 1 .81879 3310

3320 0.81874 1.91868 1 .80298 0.84364 1 .95929 1 .81063 0.86833 1 .99916 1 .81783 3320

3330 0.81544 1 .91326 1 .80193 0.84029 1 .95384 1 .80963 0.86493 1 .99370 1 .81686 3330

3340 0.81215 1 .90786 1 .80088 0.83695 1 .94842 1 . 80862 0.86155 1 .98825 1 .81589 3340

3350 0.80888 1 .90248 1 . 79983 0.83363 1 . 94301 1 . 80761 0.85818 1 . 98282 1 .81492 3350

3360 0.80562 1 .89712 1 .79877 0.83033 1 .93763 1 .80659 0.85483 1 .97742 1 .81394 3360

3370 0.80238 1 .89177 1 .79772 0.82704 1 .93226 1 .80558 0.85150 1 .97203 1 .81297 3370

3380 0.79916 1 .88645 1 .79666 0.82377 1 .92691 1 .80456 0.84818 1 .96666 1 .81199 3380

3390 0.79595 1 .88114 1 .79560 0.82051 1 .92158 1 .80354 0.84488 1 .96131 1 .81100 3390

3400 0.79275 1 .87585 1 . 79453 0.81727 1 .91627 1.80251 0.84160 1 .95597 1 .81002 3400

3410 0.78958 1 .87059 1 .79346 0.81405 1 .91098 1 .80149 0.83833 1 .95066 1 .80903 3410

3420 0.78641 1 .86534 1 .79240 0.81084 1 .90571 1 .80046 0.83507 1 .94536 1 .80805 3420

3430 0.78327 1 .86010 1 .79132 0.80765 1 .90045 1 .79943 0.83183 1 .94009 1 .80706 3430

3440 0.78013 1 . 85489 1 .79025 0.80447 I .89521 1 .79840 0.82861 I .93483 1 .80606 3440

3450 0.77702 1 .84969 1 .78917 0.80130 1 . 89000 1 .79736 0.82540 1 .92958 1 .80507 3450

3460 0.77392 1 .84452 1 .78810 0.79816 1 .88479 1 .79633 0.82221 1 .92436 1 .80407 3460

3470 0.77083 1 .83936 1 .78701 0.79502 1 .87961 1 .79529 0.81903 1 .91916 1 .80307 3470

3480 0.76776 1 .83422 1 .78593 0.79190 1 .87445 1.79425 0.81587 1 .91397 1 .80207 3480

3490 0.76470 1 .82910 1 .78485 0.78880 1 .86930 1 .79320 0.81272 1 .90880 1 .80106 3490

3500 0.76166 1 .82399 1 . 78376 0.78571 1 .86417 1 .79216 0.80959 1 .90365 1 .80006 3500

3510 0.75863 1 .81890 1 .78267 0.78264 1 .85906 1 .79111 0.80647 1 .89851 1 .79905 3510

3520 0.75562 1 .81383 1 .78157 0.77958 1 .85397 1 .79006 0.80337 1 .89340 1 .79804 3520

3530 0.75262 1 .80878 1 .78048 0.77653 1 .84889 1 .78901 0.80028 1 .88830 1 .79703 3530

3540 0.74963 1 .80374 1 .77938 0.77350 1 .84383 1 .78795 0.79720 1 .88322 1 .79601 3540

3550 0.74666 1 .79873 1 .77828 0.77049 1 . 83879 1 .78689 0.79414 1 .87815 1 .79499 3550

3560 0.74370 1 .79373 1 .77718 0.76748 1 .83376 1 .78583 0.79109 1 .87310 1 .79398 3560

3570 0.74076 1 .78874 1 .77608 0.76450 1 .82875 1 .78477 0.78806 1 .86807 1 .79295 3570

3580 0. 73783 1 .78378 1 .77497 0.76152 1 .82376 1 .78371 0.78504 1 .86306 1 .79193 3580

3590 0.73492 1 .77883 1 .77386 0.75856 1 .81879 1.78264 0.78204 1 .85806 1 .79090 3590

243

C°

P cm
Table II Harmonic Oscillator Contributions to the

Functions (in units of calories, moles, and °K)

V

-1 cm

-

-(F° -e°)/t

u

T =

S°

4400.

C°P -e°)/t

u

T=

s°

4500.

C°DJr -(Fo_eo)/t

u

s°

4600.

C°P V

-1 cm

^ Ann u • TXO C\'> i • 7 7 1 Q Q 1i • 7 7 7 c; U • 7 c; c A L • Q 1 'a Q T

i . ( O 1 3 / U. 7 7 O A C

1

O C 1 A O

1 . 78988 3600

JO J. u u • 7 O Q 1 ^ i • 7 A Q Q Q r o c5 7 o 1 • f I LOH U • 7 9 A O 11 • O A Q Q Q L

"7 Q n c o U . 7 7 i /"i 7 I ( 6U ( L . 1 7 O O O C

. 1 0003 3 A 1 A 36 10

J\>A 9C.\Jn Au « 1 C.O 1 71 AO AH nU O

1I m 7 7 n u • 7 A Q 7 A 11 • GOUn "JjVQ 7f

1 7 7 Q A u . 7 7 "a 1 1 1 O /. 31 1 7 b H J 1 ( i 7 Q 7 Q 1 ^ A 7 A 3O/IU

J O -3 U

nu • 1 C J *T U 1 7 ^ Q n 1 7 A Q A 1 nu • 7f AH AO 0

tt AO 1L • 7 u Q n A I 7 7 ft ^ A U . 7 7 n 1 A 1. .ft 1 n o A o 3 B t 1 7 ft A 7 Q "3 A Q nu • 7 9 n c: C\ 1I • 7 c; A 1 • 7 A fl 9 Q U • 7 A 1 Q 7 1I • 7 O A 1 7 1 7 7 7 O ft U . 7 A 7 O O 1 o '3 '3 :i ^ O 3 jj 3 J i 7 Q C 7 /. Q A A A

3650 0. 71772 I. 74948 1. 76716 0. 74109 1. 78930 1 . 77620 0. 76430 1. 82843 1 .78470 3650

3660 0. 71490 1. 74465 1. 76604 0. 73822 l- 78444 1 .77512 0. 76139 1. 82355 1 .78366 3660

3670 0. 71209 1. 73983 1. 76^+91 0. 73537 1. 77960 I .77404 0. 75850 1. 81868 1 .78262 3670

3680 0. 70930 1. 73503 1. 76379 0. 73253 1. 77477 1 .77295 0. 75562 1. 81383 1 .78157 3680

3690 0. 70652 1. 73024 1. 76265 0. 72971 1. 76996 1 .77186 0. 75275 1. 80900 1 .78053 3690

3700 0. 70375 1. 72547 1. 76152 0. 72689 1. 76517 I. 77077 0. 74989 1. 80418 1 .77948 3700

3710 0. 70099 1. 72072 1. 76039 0. 72409 1. 76039 1. 76968 0. 74705 1. 79938 1 .77843 3710

3720 0. 69825 1. 71598 1. 75925 0. 72131 1. 75563 1. 76859 0. 74422 1. 79459 1 .77737 3720

3730 0. 69552 1. 71126 1. 75811 0. 71853 1. 75088 1. 76749 0. 74140 1. 78982 1 .77632 3730

3740 0. 69280 1. 70656 1. 75697 0. 71577 1. 74615 1. 76639 0. 73860 1. 78507 1 .77526 3740

3750 0. 69010 1 .70187 1. 75582 0. 71302 I. 74143 1. 76529 0. 73580 1. 78033 1 .77420 3750

3760 0. 68741 1 .69719 1. 75468 0. 71029 1. 73673 1. 76419 0. 73303 1. 77561 1 .77314 3760

3770 0. 68473 1 .69253 I. 75353 0. 70756 1. 73205 1. 76 308 0. 73026 1. 77090 1 .77207 3770

3780 0. 68206 1 .68789 1. 75238 0. 70485 1. 72738 1. 76197 0. 72750 1. 76621 1 .77101 3 780

3790 0. 67941 1 .68326 1. 75123 0. 70215 1. 72273 1. 76087 0. 72476 1. 76153 1 .76994 3790

3800 0. 67676 1 .67865 1. 75007 0. 69947 1. 71809 1. 75975 0. 72203 1. 75687 1 .76887 3800

3810 0. 67413 1 .67405 1. 74891 0. 69679 1. 71346 1. 75864 0. 71932 1. 75222 1 .76780 3810

3820 0. 67151 1 .66947 1. 74776 0. 69413 1. 70886 1. 75753 0. 71661 1. 74759 1 .76672 3820

3830 0. 66891 1 .66490 1. 74659 0. 69148 1. 70426 1. 75641 0. 71392 1. 7429 7 1 .76565 3830

3840 0. 66631 1 .66035 1. 74543 0. 68884 1. 69968 1. 75529 0. 71124 1. 73837 1 .76457 3840

3850 0 .66373 1 .65581 1 .74427 0 .68622 I .69512 1 .75417 0. 70857 1 .73378 1 .76349 3850

3860 0 .66116 1 .65129 1 .74310 0 .68360 1 .69057 1 .75304 0. 70591 1 .72921 1 .76241 3860

3870 0 .65860 1 .64678 1 .74193 0 .68100 1 .68604 1 .75192 0. 70327 1 .72465 1 .76132 3870

3880 0 .65605 1 .64228 1 .74076 0 .67841 1 .68152 1 .75079 0. 70063 1 .72010 1 .76024 3880

3890 0 .65352 1 .63781 1 .73958 0 .67583 1.67701 1 .74966 0. 69801 1 .71557 1 .75915 3890

3900 0 .65099 1 .63334 1 .73841 0 .67326 1 .67252 1 .7485 3 0. 69540 1 .71106 1 .75806 3900

3910 0 .64848 1 .62889 1 .73723 0 .67070 1 .66805 1 . 74739 0. 69280 1 . 70656 1 .75697 3910

3920 0 .64598 1 .62445 1 .73605 0 .66816 1 .66358 1 .74626 0. 69022 1 .70207 1 .75587 3920

3930 0 .64349 1 .62003 1 .73487 0 .66562 1 .65914 1 .74512 0. 68764 1 .69760 1 .75478 3930

3940 0 .64101 1 .61563 1 .73368 0 .66310 1 .66470 1 .74398 0. 68508 1 .69314 1 .75368 3940

3950 0 .63854 1 .61123 1 .73250 0 .66059 1 .65028 1 .74284 0. 68252 1 .68870 1 .75258 3950

3960 0 .63608 1 .60685 1 .73131 0 .65809 1 .64588 1 . 74169 0.67998 1 .68427 1 .75148 3960

3970 0 .63364 1 .60249 1 .73012 0 .65560 1 .64149 1 .74055 0. 67745 1 .67985 1 .75037 3970

3980 0 .63120 1 .59814 1 .72893 0 .65312 1 .63711 1 .73940 0. 67493 1 .67545 1 .74927 3980

3990 0 .62878 1 .59380 1 .72773 0 .65066 1 .63275 1 .73825 0. 67242 1 .67106 1 .74816 3990

4000 0 .62636 1 .58948 1 .72654 0 .64820 1 .62840 1 .73710 0. 66993 1 .66669 1 .74705 4000

244
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

-1 cm

-(Fo_eo)/t S° C°

P

-(f°-e°)/t S° C°P -(f°-e°)/t S° C°P V

cm

T= 4700. T= 4800. T = 4900-

100 6. 95829 8. 91520 1. 98702 6. 99949 8. 95703 1. 98702 7. 03986 8. 99800 1 .98703 100

110 6. 77191 8. 72581 1. 98698 6. 81306 8. 76765 1. 98699 6. 85337 8. 80862 1 .98700 110

120 6. 60203 8. 55292 1. 98695 6. 64311 8. 59476 1. 98696 6. 68336 8. 63573 1 .98696 120

130 6. 44599 8. 39388 1. 98691 6. 48701 8. 43572 1. 98692 6. 52720 8. 47669 1 .98693 130

140 6. 30175 8. 24664 1. 98687 6. 34271 8. 28847 1. 98688 6. 38283 8. 32944 1 .98689 140

150 6. 16767 8. 10956 1. 98682 6. 20856 8. 15139 1. 98683 6. 24863 8. 19236 1 .98685 150

160 6. 04244 7. 98134 1. 98677 6. 08327 8. 02317 1. 98679 6. 12328 8. 06413 1 .93680 160

170 5. 92498 7. 86089 1. 98672 5. 96575 7. 90272 1. 98674 6. 00570 7. 94368 1 .98676 170

180 5. 81441 7. 74734 1. 98667 5. 85512 7. 78916 1. 98669 5. 89501 7. 83013 1 .98671 180

190 5. 70998 7. 63992 1. 98661 5. 75063 7. 68175 1. 98663 5. 79046 7. 72271 1 .98665 190

200 5. 61107 7 .53803 1 . 98655 5 . 65165 7. 57985 1 . 9865

5 . 69 142 1 1 n o <L n . 90OoU

210 5. 51712 7 .44110 1 . 98649 5 . 55764 7.48293 1 .98651 5 .

cr o 1 c 59 7 35 1 .52389 1 . 986 54 2 10

220 5. 42769 7 .34869 1 . 98642 5 . 46815 7. 39052 1 . 98645 5. c "7 o 50(80 f . 43 14 f 1 . 9a64o T o r\ 220

2 30 5. 34236 7 .26039 1 . 98635 5. O 1 T 382/6 7. 30221 1 . 986 38 5 .

/ O O 1 c 4<£2 35 -J

f . 343 1

1

fl O A 1 .9864 1 2 3U

240 5. 26079 7 .17586 1 .98628 5. 30113 7 . 21768 1 .98631 5. 34066 7 .25863 1 .98635 240

250 5. 18268 7 .09478 1 . 98620 5 . 22295 7. 13659 1 . 98624 5 . 26242 1

1 ~F "7 c; c .1/(55 1 .98628 1 c r\ 2 50

260 5. 10774 7 .01688 1 .98612 5 . 14795 7 . 05 869 1 . 98616 5 . 18 737 '3I . 0996 5 1 .98621 260

270 5. 03575 6 .94192 1 . 98604 5. 07589 6. 98374 1 . 98609 5 . 1 1525 7 .02469 1 .98613 270

280 4. 96648 6 .86970 1 . 98595 5. 00656 6. 91151 1 . 98600 5 . 04586 6 . 95246 1 .98605 280

290 4. 89974 6 .80001 1 .98587 4. 93977 6. 84182 1 .98592 4. 97900 6 .88277 1 .98597 290

300 4.83537 6 .73269 1 .98 577 4. 87533 6. 77449 1 .98583 4. 91451 6 . 8 1 544 1 .98589 300

310 4. 77320 6 .66757 1 . 98568 4. 81311 6. 70938 1 . 98574 4. 8522 3 6 .75032 1 .98580 3 10

320 4. 71311 6 .60453 1 . 98558 4. 75295 6. 64634 1 . 98565 4. 79201 6 .68728 1 .98571 320

330 4. 65495 6 .54343 1 .98548 4. 69473 6. 58524 1 .98555 4. 73373 6 . 626 1 8 1 .98562 330

340 4. 59862 6.48416 1 .98538 4. 63833 6. 52596 1 .98545 4. 67728 6 .56690 1 .98552 340

350 4. 54400 6 .42661 1 . 98527 4. 58366 6. 4684

1 .98535 4. 62254 6 .50935 1 .98542 350

360 4. 49101 6 .37069 1 . 98516 4. 53060 6. 41248 1 .98524 4. 56943 6 . 45342 1 .98532 360

370 4. 43955 6 .31630 1 .98505 4. 47908 6. 35809 1 .98513 4. 51785 6 . 39902 1 .98522 370

380 4. 38953 6 .26336 1 .98493 4. 42901 6. 30515 1 .98502 4. 46772 6 . 34608 1 .98511 380

390 4. 34090 6 .21180 1 . 98481 4. 38031 6. 25359 1 .98491 4. 41896 6 .29452 1 .98500 390

400 4. 29357 6 .16156 1 .98469 4. 33292 6. 20334 1 .98479 4. 37151 6 .24427 1 .98489 400

410 4. 24748 6 .11255 1 .98456 4. 28677 6. 15433 1 .98467 4. 32530 6 . 19526 1 .98477 410

420 4. 20257 6 .06473 1 .98443 4. 24180 6. 10651 1 .98455 4. 28028 6 . 14743 1 .98465 420

430 4. 15879 6 .01803 I .98430 4. 19796 6. 05981 1 .98442 4. 23637 6 .10073 1 .98453 430

440 4. 11608 5 .97242 1 .98417 4. 15519 6. 01419 1 .98429 4. 19354 6 .05511 1 .98441 440

450 4. 07439 5 .92783 1 .98403 4. 11344 5. 96960 1 .98416 4. 15174 6 .01051 1.98428 450

460 4. 03369 5 .88422 1 .98389 4. 07268 5. 92599 1 .98402 4. 11092 5 .96690 1 .98415 460

470 3. 99392 5 .84156 1 .98375 4. 03285 5. 88333 1 .98389 4. 07103 5 .92423 1 .98402 470

480 3. 95505 5 .79980 1 .98360 3. 99392 5. 84156 1 .98375 4. 03205 5 .88246 1 .98388 480

490 3. 91704 5.75890 1 .98345 3.95585 5. 80066 I .98360 3. 99392 5 .84156 1 .98375 490

500 3. 87986 5 .71883 1 .98329 3. 91861 5. 76059 1 .98345 3. 95662 5 .80148 1 .98360 500

510 3.84347 5 .67956 I .98314 3. 88216 5. 72131 I .98330 3. 92011 5 .76220 1 .98346 510

520 3. 80785 5 .64105 1 .98298 3. 84648 5. 68280 1 .98315 3. 88437 5 .72369 1 .98331 520

530 3. 77296 5 .60328 1 .98282 3. 81153 5. 64502 1 .98300 3. 84936 5 .68591 1 .98316 530

540 3. 73877 5.56622 1 .98265 3. 77728 5. 60796 1.98284 3. 81506 5 .64885 1 .98301 540

550 3. 70527 5 .52984 1 .98248 3. 74371 5. 57158 1 .98268 3. 78144 5 .61246 1 .98286 550

560 3. 67242 5.49412 1 .98231 3. 71080 5. 53585 1 .98251 3. 74847 5 .57673 1 .98270 560

570 3. 64020 5 .45903 1 .98214 3. 67853 5. 50077 1 .98234 3. 71613 5 .54164 I .98254 570

580 3. 60859 5 .42456 1 .98196 3. 64686 5. 46629 1 .98217 3. 68441 5 .50716 1 .98237 580

590 3. 57757 5 .39068 1 .98178 3. 61578 5. 43241 1 .98200 3. 65327 5 .47328 1 .98221 590

245
V

cm

Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

(f°-e°)/t s° c°

p

-(F°-Eg)/T S° eg (F°-Eo)/T S° COP cm

T=4700. T=4800. T=4900.

600 3 .54712 5.35738 1 .98159 3 .58527 5. 39910 1 .98182 3.62271 5. 43996 1 .98204 600

610 3 .51722 5.32462 1 .98141 3 .55531 5. 36634 1 .98164 3 .59269 5. 40720 1 .98187 610

620 3 .48786 5.29241 1 .96122 3 .52589 5. 33412 1 .98146 3 .56321 5. 37498 1 .98169 620

630 3 .45901 5.26071 1 .98102 3 .49698 5. 30242 1 .98128 3 . 53424 5. 34327 1 .98151 630

640 3 . 43065 S . ? ?9 S

1L .9808 3 3 .46857 5 , 27122 1 . 98109 3 .50577 5 , 1 1 ?n 7 1 . 9R ) ^

640

650 3 .40279 5. 19880 1 .98063 3 .44064 5. 24050 1 .98090 3 .47779 5. 28135 1 .98115 650

660 3 .37539 5. 16856 1 .98042 3 .41318 5. 21026 1 .98070 3 .45027 5. 2511

1 .98096 660

670 3 .34844 5.13878 1 .98022 3 .38618 5. 18048 1 .98050 3 .42321 5. 22132 I .98077 670

680 3 .32194 5. 10945 1 .98001 3.35962 5. 15114 1 .98030 3 .39660 5. 19197 I .98058 680

690 3 .29587 J • \J KJ \J J J \ . 97980 3 .33348 5 , 1 ??73 1L . 9801

3 .37041 5 , 16306 1 .98039 690

700 3 .27021 5.05206 1 .97958 3.30776 5. 09374 1 .97990 3 .34463 5. 13457 1 .98019 700

710 3 .24495 5.02398 I .97937 3 .28245 5. 06566 1 .97969 3 .31926 5. 10648 1 .97999 710

720 3 .22009 4.99630 1 .97914 3 .25753 5. 03 797 1 .97947 3 .29428 5. 07879 1 .97978 720

730 3 . 19561 4.96900 1 .97892 3 .23299 5. 01067 1 .97926 3 .26969 5. 05148 1 .97958 730

740 3 .17150 4.94208 I . 97869 3 .20882 4, 98 374 1 .97904 3 .24546 5

0245 5 1 .97937 740

750 3 .14775 4.91552 1 .97846 3 .18502 4. 95718 1 .97882 3 .22160 4. 99798 1 .97916 750

760 3 . 12436 4.88932 1 .97823 3 . 16156 4. 93097 1 .97860 3 .19809 4. 97177 1 .97894 760

770 3 .10130 4. 86346 1 .97799 3 .13845 4. 90511 1 .97837 3. 17492 4. 94590 1 .97873 770

780 3 .07858 4.83794 1 .97776 3 .11567 4. 87958 1 .97814 3 .15209 4. 92037 1 .97851 780

790 3 4 H 1 ? 74 1L •J 7 7 S 1 3 .09322 4 O J ^ J \J 1 .97791 3 .12958 4. fi9Sl D 7 J X 71 1.97828 790 1 7V/

800 3 .03411 4.78787 1 .97727 3 .07108 4. 82950 1 .97767 3 . 10739 4. 87029 1 .97806 800

810 3 .01234 4.76331 1 .97702 3 .04926 4. 80494 1 .97744 3 .08550 4. 84571 1 .97783 810

820 2 .99087 4.73905 1 .97677 3 .02773 4. 78068 1 .97720 3 .06392 4. 82145 1 .97760 820

830 2 .96970 4.71509 1 .97651 3 .00650 4. 75671 1.97695 3 .04263 4. 79748 1 .97736 830

nun £. • 7 H O o 1

11 • V f O ^ O 2 .98555 H . 7 ^"^fl4 1 .97670 3 .02163 A^ . 7 7 ^ fl n 1 .97713

850 2 .92821 4.66804 1 .97600 2 .96489 4. 70964 1 .97645 3 .00091 4. 75040 1 .97689 850

860 2 .90787 4.64493 1 .97573 2 .94450 4. 68653 1 .97620 2 .98047 4. 72728 1 .97664 860

870 2 .88781 4.62209 1 .97547 2 .92437 4. 66368 1 .97595 2 .96029 4. 70443 1 .97640 870

880 2 .86800 4.59951 1 .97520 2 .90451 4. 64110 1 .97569 2 .94037 4. 68184 1 .97615 880

o ~ u c OA Q A C . 0*f 0*T J

11 . 7 1 f 7 t 2.88490 ^ . 0 X 0 f 0 1 .97543 2 .92071 ^ . 0 ^ 7 J ^ 1 .97590 0 7 \j

900 2 .82915 4.55513 1 .97465 2 .86555 4. 59671 1 .97516 2 .90129 4. 63744 1 .97565 900

910 2 .81010 4.53331 1 .97437 2 .84643 4. 57489 1 .97489 2 .88212 4. 61561 1 .97539 910

920 2 .79128 4.51174 1 .97409 2 .82756 4. 55330 1 .97462 2 .86319 4. 59402 1 .97513 920

930 2 .77269 4.49040 1 .97380 2 .80891 4. 53196 I .97435 2 .84450 4. 57267 1 .97487 930

A A A Q ? Q 1

i. Q7 1 2 .79050 ^ . K 1 fia4 1 .97407 2 .82603 4 1 .97460 940

950 2 .73620 4.44841 1 .97322 2 .77231 4. 48995 1 .97380 2 .80778 4. 53066 1 .97433 950

960 2 .71829 1 .97293 2 .75434 4. 46929 I .97351 2 .78975 4. 50999 1 .97406 960

970 2 .70059 4.40730 1 .97263 2 .73658 4. 44884 I .97323 2 .77194 4. 48953 1 .97379 970

980 2 .68310 4.38707 1 .97233 2 .71903 4. 42860 1 .97294 2 .75434 4. 46929 1 .97351 980

990 2 .66581 4.36705 1 .97203 2 .70169 4. 40857 1 .97265 2 .73694 4. 44925 1 .97324 990

1000 2 .64873 4.34723 1 .97172 2 .68455 4. 38875 1 .97236 2 .71974 4. 42942 1 .97295 1000

1010 2 .63184 4. 32761 1 .97141 2 .66760 4. 36912 1 .97206 2 .70275 4. 40979 1.97267 1010

1020 2 .61515 4.30819 1 .97110 2 .65085 4. 34970 1 .97176 2 .68594 4. 39036 1 .97238 1020

1030 2 .59864 4.28896 I .97079 2 .63429 4. 33046 1 .97146 2 .66932 4. 37112 1 .97209 1030

1040 2 .58233 4.26992 1 .97047 2 .61792 4. 31141 1 .97115 2 .65289 4. 35206 1 .97180 1040

1050 2 .56619 4.25107 1 .97015 2 .60172 4. 29255 I .97085 2 .63665 4. 33320 1 .97150 1050

1060 2 .55023 4.23239 1 .96982 2 .58571 4. 27387 1 .97054 2 .62058 4. 31451 1 .97120 1060

1070 2.53445 4.21390 1 .96950 2 .56987 4. 25537 1 .97022 2 .60468 4. 29600 1 .97090 1070

1080 2 .51884 4. 19558 1 .96917 2 .55420 4. 23705 1 .96991 2 .58896 4. 27767 1 .97060 1080

1090 2 .50340 4. 17743 1 .96883 2 .53871 4. 21889 1 . 96959 2 .57341 4. 25951 1 .97029 1090

246
V

-1 cm

1100

1110

1120

1130

1140

1150

1160

1170

1180

1190

1200

1210

1220

1230

1240

1250

1260

1270

1280

1290

1300

1310

1320

1330

1340

1350

1360

1370

1380

1390

1400

1410

1420

1430

1440

1450

1460

1470

1480

1490

1500

1510

1520

1530

1540

1550

1560

1570

1580

1590

I

Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

(f°-e°)/t s° c° -(f°-e°)/t s° c° -(f°-e°)/t s°

0 n U P u

T = 4700. T= 4800. T= 4900.

2.48812 4. 15945 1 .96850 2.52337 4. 20091 1 .96926 2. 55803 4. 24152 1 .96998 1100

2.47301 4. 14164 1 -96816 2.50820 4. 18308 1 .96894 2. 54280 4. 22369 1 .96967 1110

2.45805 4. 12399 1 .96782 2.49319 4. 16543 1 .96861 2. 52774 4o 20603 1 .96936 1120

2.44326 4. 10650 1 .96747 2.47834 4. 14793 1.96828 2. 51283 4. 18852 I .96904 1130

2.42862 4. 08917 1 .96712 2.46364 4. 13059 1 .96795 2. 49808 4. 17118 1 .96872 1140

2.41412 4. 07199 1 .96677 2.44910 4. 11340 1 .96761 2. 48348 4. 15398 1 .96839 1150

2.39978 4. 05496 1 .96642 2.43470 4. 09637 1 .96727 2. 46903 4. 13694 1 .96807 1160

2. 38559 4. 03808 1 . 96606 2. 42045 4. 07948 1 .96693 2.45472 4. 12005 1 .96774 1 170

2.37153 4. 02135 1 . 96570 2.40634 4. 06275 1 .96658 2. 44056 4. 10330 1 .96741 1 180

2. 35762 4. 00477 1 . 96534 2.39237 4, 04615 1 . 96623 2. 42654 4. 08670 1 .96707 1 190

2.34385 3. 98832 1 .96497 2.37854 4. 02970 1 .96588 2. 41265 4. 07024 1 .96674 1200

2.33021 3. 97202 1 .96460 2.36485 4. 01339 1 .96553 2. 39891 4. 05392 1 .96640 1210

2. 31671 3, 95585 \ . 96423 2.35129 3. 99721 1 .96517 2. 38530 4, 03774 1 .96605 1220

2 . 30334 3. 93981 .96386 2. 33787 3, 98117 1 .96481 2. 37182 4, 02169 1.96571 1230

2 . 290 10 3. 9239. 96348 2. 32457 3, 96526 1 . 96445 2. 35847 4. 0057 8 1 .96536 1240

2.27699 3. 90814 1 .96310 2.31140 3. 94948 1 .96408 2. 34525 3. 98999 1 .96501 1250

2.26400 3. 89250 1 .96271 2.29836 3. 93384 1 .96372 2. 33215 3. 97434 1 .96466 1260

2.251 14 3. 87699 I . 96233 2.28544 3. 91831 1 .96334 2. 31918 3. 95881 1 .96430 1270

2.23840 3. 86160 1 .96194 2.27265 3. 90292 1 .96297 2. 30^33 3. 94340 1 .96394 1280

2.22578 3. 84633 1 . 96155 2.25997 3. 88764 1 .96259 2. 29360 3. 92812 1 .96358 1290

2.21327 3. 83119 1 .96115 2.24741 3. 87249 1 .96221 2. 28099 3. 91296 1 .96322 1300

2.20089 3. 81616 1 .96075 2.23497 3. 85745 1 .96183 2. 26849 3. 89792 1 .96285 1310

2. 18861 3. 80125 1 . 96035 2.22264 3. 84254 1 .96145 2. 25611 3. 88299 1 .96248 1320

2. 17645 3. 78646 1 .95994 2.21042 3. 82773 1 .96106 2. 24384 3. 86818 1 .96211 1330

2. 16440 3. 77178 1 .95954 2. 19832 3. 81305 1 .96067 2. 23169 3. 85348 1 .96173 1340

2. 15246 3. 75721 1 .95913 2.18632 3. 79847 1 .96027 2. 21964 3. 83890 1 .96135 1350

2. 14063 3. 74275 1 .95871 2. 17443 3. 78400 1 . 95988 2. 20770 3. 82443 1 .96097 1360

2. 12890 3.72841 1 .95830 2.16265 3. 76965 1 .95948 2. 19586 3. 81006 1 .96059 1370

2.11727 3. 71417 1 .95788 2. 15097 3. 75540 1 .95908 2. 18413 3. 79580 1 .96020 1380

2. 10575 3. 70003 1 .95746 2. 13940 3. 74125 1 .95867 2. 17250 3. 78165 1 .95981 1390

2.09434 3. 68600 1 .95703 2. 12793 3. 72722 1 .93826 2. 16098 3. 76761 1 .95942 1400

2.08302 3. 67207 1 .95660 2.11655 3. 71328 1 .95785 2. 14955 3. 75366 1 .95903 1410

2.07179 3. 65825 1 .95617 2. 10528 3. 69944 1 .95744 2. 13822 3. 73982 1 .95863 1420

2 .06067 3. 64452 1 .95574 2.09410 3. 68571 1 .95702 2. 12699 3. 72607 1 .95823 1430

2.04964 3. 63089 I .95530 2.08302 3. 67207 I .95660 2. 11586 3. 71243 1 .95783 1440

2.03871 3. 61736 1 .95486 2.07203 3. 65853 1 .95618 2. 10482 3. 69888 1 .95742 1450

2.02787 3. 60393 1 .95442 2.06113 3. 64509 1 .95576 2. 09387 3. 68543 1 .95701 1460

2.01712 3. 59059 1 .95397 2.05033 3. 63174 1 .95533 2. 08302 3. 67207 1 .95660 1470

2.00646 3. 57734 1 . 95352 2.03962 3. 61849 1 .95490 2. 07225 3. 65881 1 .95619 1480

1.99589 3. 56419 1 .95307 2.02899 3. 60532 1 .95446 2. 06158 3. 64564 1 .95577 1490

1.98541 3. 55113 1 .95262 2.01846 3. 59225 1 .95403 2. 05099 3. 63256 1 .95535 1500

1.97501 3. 53815 1 .95216 2.00801 3. 57927 1 .95359 2. 04049 3. 61957 1 .95493 1510

1.96470 3. 52527 1 .95170 1.99765 3. 56638 1 .95315 2.03007 3. 60666 1.95451 1520

1.95448 3. 51247 1 .95124 1.98737 3. 55357 1 .95270 2. 01974 3. 59385 1 .95408 1530

1.94434 3. 49976 1 .95077 1.97717 3. 54085 1 .95226 2. 00950 3. 58112 1 .95365 1540

1.93428 3. 48714 1 .95030 1.96706 3. 52822 1 .95181 1. 99933 3. 56848 1 .95322 1550

1.92430 3. 47460 1 .94983 1.95703 3. 51567 1 .95135 1. 98925 3. 55592 1 .95278 1560

1.91440 3. 46214 1 .94936 1.94708 3. 50320 1 .95090 1. 97925 3- 54344 1 .95235 1570

1.90458 3. 44977 1 .94888 1.93720 3. 49081 1 .95044 1. 96932 3. 53104 1 .95191 1580

1.89484 3. 43747 1 .94840 1.92741 3. 47851 1.94998 1. 95948 3. 51873 1 .95146 1590

c°

p

V

cm

247
I

cm

-1

Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

(f°-e°)/t s° CO

p

-(f°-e°)/t s° -(f°-e°)/t s° c°

p

V

-1 cm

T =4700. T =4800. T = 4900.

1600 1 .88518 3 .42526 1 .94791 1 .91769 3.46628 I .94951 1 .94971 3. 50650 1 .95102 1600

1610 1 .87559 3 .41312 1 .94743 1 .90805 3 . 45414 1 .94905 1 .94002 3. 49434 1 .95057 1610

1620 1 . 86608 3 .40107 1 . 94694 1 .89849 3 . 44207 1 .94858 1 .93040 3. 48227 1 .95012 1620

1630 1 .85664 3 .38909 1 . 94645 1 . 88900 3 .43008 1 . 9481

1 .92086 3. 47027 1 .94967 1630

1640 1 .84728 3 .37718 1 . 94595 1 .87958 3 .41317 1 . 94763 1.91139 3. 45834 1 .94921 1640

1650 1 .83798 3 .36535 1 .94545 1 .87023 3 .40633 1 .94715 1 .90199 3. 44650 1 .94875 1650

1660 1 .82876 3 . 35360 1 .94495 I .86096 3 .39457 I .94667 1 .89267 3. 43472 1 .94829 1660

1670 1 .81961 3 .34192 1 . 94445 1 .85175 3 .38288 1 .94619 1 .88341 3. 42302 1 . 94782 1670

1680 1 .81053 3 .33031 1 . 94394 1 . 84262 3 .37126 1 . 94570 1 .87423 3. 41 139 1 .94736 1680

1690 1 . 80 152 3 .31878 1 . 94343 1 .83356 3 . 35971 1 •94 521 I .86511 3. 39984 1 . 94689 1690

1700 1 .79257 3 .30731 1 .94292 1 .82456 3 .34824 1 .94472 1 .85607 3. 38835 I .94642 1700

1710 1 .78370 3 .29592 1 .94241 1 .81563 3 .33683 1 .94423 1 .84709 3. 37694 1 .94594 1710

1 f £.\J 1 . 77489 3 .28460 1 . 94 189 1 . 80677 3 .32550 1 .94373 1 .83817 3 . 36559 1 . 94546 1720

1 1 30 1 3.27334 1 . 94 13 7 1

"7 O T O "T . 79 79 1 3 .31423 1 . 94323 1 .82932 3. 35432 1 . 94498 1730

1 > hO 1 3 .26215 1 . 94084 1 . 78924 3.30303 1 . 942 1

1 .82054 3 . 34311 1 . 944 50 1740

1750 1 .74885 3.25103 I .94032 1 .78057 3 .29190 1 .94222 1 .81 182 3. 33197 1 .94402 1750

1760 1 .74029 3 .23998 1 .93979 1 .77197 3 .28084 1 .94172 1 .80317 3. 32089 1 .94353 1760

1770 1 .73180 3 .22899 1 . 93926 1 .76342 3 .26984 1 .94120 1 .79458 3. 30988 1 .94304 1770

1780 1 .72338 3 .21806 I . 93872 1 . 75494 3 .25890 1 . 94069 1 .78605 3. 29894 I .94254 1780

1790 1 .71501 3 .20720 1 .93818 1 .74652 3 .24803 1 .94017 1 .77758 3. 28805 1 .94205 1790

1800 1 .70670 3 . 19641 1 .93764 1 .73817 3 .23722 1 .93966 1 .76917 3. 27724 I .94155 1800

1810 I .69846 3 .18567 1 .93710 1 .72987 3 . 22648 I .93913 1 .76082 3. 26648 1 .94105 1810

1820 1 .69027 3 .17500 1 . 93655 1 .72163 3 .21580 1 .93861 1 .75253 3. 25579 1 . 94054 1820

1830 1 .68214 3 .16439 1 . 93600 1 .71345 3 . 20517 1 . 93808 1 .74430 3. 24516 1 . 94004 1830

1840 1 . 67407 3 .15384 1 .93545 1 .70533 3 . 19461 1 .93755 1 .73613 3. 23459 1 .93953 1840

1850 1 .66606 3 . 14336 1 .93490 1 .69726 3 .18411 1 .93702 1 .72801 3. 22407 1 .93902 1850

1860 1 .65810 3 .13293 1 .93434 1 .68925 3 .17367 1 .93648 1 .71995 3. 21362 1 .93850 1860

1870 1 . 65020 3 . 12256 1 .93378 1 .68130 3 . 16329 1 .93595 1 .71195 3. 20323 1 . 93799 1870

1880 1 . 64235 3 .11224 1 .93322 1 .67340 3 .15297 1 . 93541 .70401 3. 19290 1 . 93747 1880

1890 1 . 63456 3 . 10199 1 . 93265 1 .66556 3 . 14270 1 . 93486 1 .69611 3. 18262 1 .93694 1 890

1900 1 .62682 3 .09179 1 .93208 1 .65777 3 . 13249 1 .93432 1 .68827 3. 17240 1 .93642 1900

1910 1 .61914 3 .08165 1 .93151 I .65003 3 .12234 1 .93377 1 .68049 3. 16224 1 .93589 1910

1920 1 .61151 3 .07157 1 .93094 1 . 64235 3 .11224 1 . 93322 1 .67276 3. 152 13 1 .93536 1920

1930 1 .60393 3 .06154 1 . 93036 1 .63472 3 . 10220 1 . 93266 1 .66508 3. 14208 1 .93483 1930

1940 1 .59640 3 .05156 1 .92978 1 .62715 3 .09222 1 .93211 1 .65745 3. 13208 1 .93429 1940

1950 1 .58893 3 .04164 I .92920 1 .61962 3 .08228 1 .93155 1 .64988 3. 12213 1 .93376 1950

1960 1 .58151 3 .03178 1 .92861 1 .61214 3 .07241 1 .93098 1 .64235 3. 11224 1 .93322 1960

1970 1 .57413 3 .02196 1 .92802 1 .60472 3 .06258 1 .93042 1 .63488 3. 10241 1 .93267 1970

1980 1 . 56681 3 .01220 1 .92743 1 .59734 3 .05281 1 .92985 1 .62745 3. 09262 1 .93213 1980

1990 1 .55953 3 .00249 1 .92684 1 .59002 3 .04309 1 .92928 1.62008 3. 08289 1 .93158 1990

2000 1 .55230 2 .99284 1 .92624 1 . 58274 3 .03342 1 .92871 1 .61275 3. 07321 1 .93103 2000

2010 1 .54513 2 .98323 1 .92564 1 .57551 3 .02380 1 .92813 1 .60547 3. 06358 1 .93048 2010

2020 1 .53799 2 .97368 1 .92504 1 .56833 3 .01423 1 .92755 1 .59824 3.05400 1 .92992 2020

2030 1 .53091 2 .96417 1 .92443 1 .56119 3 .00471 1 .92697 1 .59106 3. 04447 1 .92936 2030

2040 1 .52387 2 .95472 1 .92383 1 .55411 2 .99525 1 .92639 1 .58392 3. 03499 1 .92880 2040

2050 1 .51688 2 .94531 1 .92322 1 .54706 2 .98583 1 .92580 1 .57683 3. 02556 1 .92824 2050 : 2060 1 .50994 2 .93595 1 .92260 1 .54007 2 .97646 1 .92522 1 .56979 3. 01618 1 .92767 2060

2070 1 .50304 2 .92664 1 .92199 1 .53312 2 .96714 1 .92462 1 .56279 3. 00685 1 .92710 2070 1 2080 1 .49618 2 .91738 1 .92137 1 .52621 2 .95786 1 .92403 1 .55584 2. 99756 1 .92653 2080 , 2090 1 .48937 2 .90817 1 .92075 1 .51935 2 .94864 1 .92343 1 .54893 2. 98832 1 .92596 2090 :

248
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

cm

(F°-Eg)/T S° C°

P

(f°-e°)/t S° C°

P

(f°-e°)/t s° c°

p

V

-1 cm

T =4700T =4800. T =4900

2100 1 .48261 2 .89900 1 . 92012 1 .51254 2 .93946 1 .92283 1 . 54206 2 .97913 1 .92538 2100

2110 1 .47588 2 .88988 1 .91950 1 .50576 2 .93032 I .92223 1 .53524 2 .96998 1 .92481 2110

2120 1 . 46920 2 .88081 1 .9188 7 1 . 49903 2 .92124 1 .92163 1 . 52 846 2 . 96089 1 .92422 2120

2130 1 .46256 2 .87178 1 .9182 3 1 .49235 2 .91219 1 . 92 102 1 .52173 2 .95183 1 . 92 364 2130

2140 1 . 45597 2 . 86280 1 . 91760 1 .48570 2 . 90320 1 .92041 1 . 5 1504 2 . 94282 1 .92305 2140

2150 1 .44942 2 .85386 1 .91696 1 .47910 2 .89425 1 .91980 1 .50838 2 .93386 1 .92247 2150

2160 1 .44291 2 .84496 1 .91632 1 .47254 2 .88534 1 .91918 1 .50177 2 .92494 1 .92187 2160

2170 I . 4364 3 2 .8 3611 1 .91568 I .46602 2 . 87648 1 .91 856 1 .49 521 2 .91 606 I .92128 2 I f 0

2 1 oU i . H3UUU o o "7 :i 1

1. 1 .45954 Z

O A 7 A A

. DO 1 OO 1 O 1 7 O A .VI J y1 A Q U A O . 4 O 0 O O o r\ *7 O "2 1 Q o n A Q • V <i U o o

•3 1 Q r\

<i 1 y u 1 A 1 A O Q 1 Q A 1 1 .45310 Q U Q Ui O 1 7 > O 1 A D 9 1 Q . 4d/: i V /L Q Q Q A A 1 Q O n /I Q 7 11 onVU

2200 1 .41727 2 .80982 1 .91373 1 .44670 2 . 85015 1 .91670 1 .47575 2 .88970 1 .91948 2200

2210 1 .41096 2 .80115 1 .91308 1 .44034 2 .84146 1 .91607 1 .46934 2 .88099 1 .91888 2210

o o o r\ 1i A n A A Q 7 Q O 1 1 Q 1 O A O 1 .43402 1 .VIQ 1 Q544A A 1 A A 0 Q 7 . 4t) ^ V 1 2 .87233 I Q 1 Q O 7 7 7 o n

i 1 Q Q A 7 Q T Q O 1i O 1 1 7 A 1.42774 Q O A "7 n 1 Q 1 A u n . V 1 4o U I A <^ A A A . ^5004 2 .86371 1 •VIQ 1 7 A A ( OD 7 7 7 n

o 9 A n 1i

"7 7 K :i 7

1 Q 1 1 1 n . VI 1 iU 1I T

£. Q 1 A ^

I Q 1 /. 1 7 1I A c r\ a c

• 45U j5 2 .85513 1 .VI 1 UD 7 7 A n

2250 1 .38610 2 .76685 1 .91043 1 .41529 2 .80711 1 .91353 1 .44410 2 .84659 1 .91644 2250

2260 I .37999 2 .75838 1 .90977 1 .40912 2 .79862 1 .91289 1 .43788 2 .83810 1 .91582 2260

O O T 22 fO 1 . 37390 2 .74995 1 .90910 1 . 40299 2 . 7901

1 . 91224 1 . 43 17 1 2 .82964 1 .91520 2270

2280 1 . 36786 2 .74156 1 . 90842 1 . 39690 2 .78178 1 .91160 1 .42557 2.82122 1 .91458 2280

2290 1 . 36 185 2 .73321 1 . 90775 1 .39084 2 .77341 1 . 91095 1 .41946 2 .81284 1 . 91396 2290

2300 1 . 35588 2 .72490 1 .90707 1 .38483 2 .76509 1 .91030 1 .41340 2 .8045

1 .91333 2300

2310 1 .34995 2 .71663 1 .90639 1 .37884 2 .75680 1 .90964 1 .40737 2 .79621 1 .91270 2310

2320 1 . 34405 2 .70840 1 .90571 1 .37290 2 . 74855 1 . 90899 1 .40137 2 .78795 1 .91207 2320

2330 1 .33819 2 . 70020 1 . 90502 1 .36698 2 . 74034 1 . 90833 1 .39541 2 .77972 1 .91 144 2330

2 340 1 .33236 2 .69204 1 . 90433 1 .361 11 2 . 73217 1 . 90766 1 .38949 2 .77154 1 .91080 2340

2350 1 .32657 2 .68392 1 .90364 1 .35526 2 .72404 1 .90700 1 .38360 2 .76339 1 .91016 2350

2360 1 .32081 2 .67584 1 .90295 1 .34946 2 .71594 1 .90633 1 .37775 2 .75528 I .90952 2360

£.5 lu 1 .31508 2 . 66780 1 . 90225 1 .34368 2 .70788 1 . 90566 1 . 37 193 2 .74721 1 . 90888 2370

o Q o n 1 . 309 39 2 .65979 1 .90155 1 .33794 2 . 69986 1 . 90499 1 . 36614 2 .73917 1 .90823 2380

1 . 30374 2 .65182 1 . 90085 1 .33224 2 .69187 1 . 90432 1 .36039 2 .73117 1 . 90758 2 390

2400 1 .29811 2 .64388 1 .90014 1 .32657 2 .68392 1 .90364 1 .35467 2 .72321 1 .90693 2400

2410 1 .29252 2 .63598 1 .89944 1 . 32093 2 .67601 1 .90296 1 . 34898 2.71528 1 .90628 2410

1 . 28696 2 .62812 1 . 89873 1 .31532 2 . 6681

1 . 90228 1 . 34333 2 .70739 1 . 90562 2420

o "3 r\ 1 . 28 144 2 . 62029 1 . 89801 1 .30975 2 . 66029 1 .90159 1 .33771 2 .69953 1 . 90496 2430

2440 1 .27 594 2 .61250 1 . 89730 1 .30421 2 .65248 1 . 9009

1 .33212 2 .69171 1 .90430 2440

2450 1 .27048 2 .60474 1 .89658 1 .29870 2 .64471 1 .90022 1 .32657 2 .68392 1 .90364 2450

2460 1 .26505 2 .59702 1 .89586 1 .29322 2 .63697 1 .89952 1 .32104 2 .67617 I .90297 2460

2470 1 .25965 2 . 58933 1 . 89514 1 .28777 2 .62926 1 . 89883 1 .31555 2 .66845 1 .90231 2470

2480 1 .25428 2 .58167 1 . 89441 1 .28236 2 .62159 1 .89813 1 .31009 2 .66077 1 .90164 2480

2490 1 .24895 2 .57405 1 . 89368 1 .27697 2 .61396 1 . 89743 1 .30466 2 .65312 1 .90096 2490

2500 1 . 24364 2 .56646 1 . 89295 1 .27162 2 .60635 1 . 89673 1 .29926 2 .64550 1 .90029 2500

2510 1 .23836 2 .55890 1 .89222 1 .26629 2 . 59878 1 .89603 1 .29389 2 .63791 1 .89961 2510

2520 1 .23312 2 .55138 1 .89148 1 .26100 2.59125 1 .89532 1 .28855 2 .63036 1 .89893 2520

2530 1 .22790 2 .54389 1 .89075 1 .25574 2.58374 I .89461 1 .28324 2 .62284 1 .89825 2530

2540 1 .22272 2 .53644 1 .89000 1 .25050 2 .57627 1 .89390 1 .27796 2 .61536 1 .89756 2540

2550 1 .21756 2 .52901 1 .88926 1 .24530 2 .56883 1 . 89318 1 .27271 2 .60790 1 .89687 2550

2560 1 .21243 2 .52162 1 .88851 1 .24012 2.56142 1 .89246 1 .26749 2 .60048 1 .89618 2560

2570 1 .20733 2 .51426 1 .88777 1 .23497 2 .55404 1 .89174 I .26229 2 .59309 1 .89549 2570

2580 1 .20226 2 .50693 1 . 88701 1 .22985 2 . 54670 1 .89102 1 .25713 2 .58573 I . 89480 2580

2590 1 .19722 2.49963 1 .88626 1 .22477 2 . 53938 1 .89030 1 .25199 2 .57840 1 .89410 2590

249
cm

Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

{f°-e°)/t c°

p (f°-e°)/t s° c°

p _(Fo_eo)/t s° c°

p cm

T=^700. T=4800. r=4900.

2600 1. 19220 2. 49236 1. 88550 1 .21970 2. 53210 1. 88957 1 .24689 2. 57110 1 .89340 2600 1 2610 1. 18721 2. 48512 1. 88474 I .21467 2. 52485 1. 88884 1 .24181 2. 56384 1 .89270 2610 ' 2620 I. 18226 2. 47792 1. 88398 1 .20966 2. 51763 1. 88811 1 .23676 2. 55660 1 .89199 2620 1 2630 1. 17732 2. 47074 1. 88322 I .20469 2. 51044 1. 88737 1 .23173 2. 54939 1 .89129 2630

2640 I. 17242 2. 46360 1. 88245 1 .19973 2. 50327 1. 88664 1 .22674 2. 54222 1 .89058 2640

2650 1 . 16754 2 .45648 1 .88168 1 . 19481 2 .49614 1 -88590 1 .22177 2 .53507 1 .88987 2650

2660 1 . 16269 2.44940 1 .88091 1 .18991 2 . 48904 1 -88516 1 .21682 2 .52795 1 .88915 2660

2670 1 . 15787 2 . 442 34 1 .88014 1 . 18504 2 .48197 1 -83441 1 .21191 2.52087 1 .88344 2670

2680 1 .15307 2 .43531 1 .87936 I .18020 2 .47493 1 - 38367 1 .20702 2 .51331 1 .88772 2680

2690 1 . 14830 2 .42831 1 .87858 1 .17538 2 .46791 1 - 88292 1 .20216 2 .50678 1 .88700 2690

2700 1 .14355 2 .42135 1 .87780 1 .17059 2 .46093 1 -88216 1 . 19732 2 .49978 1 .88628 2700

2710 1 . 13883 2 .41440 1 . 87702 1 .16582 2 .45397 1 .88141 1 . 19251 2 . 4928 I 1 .88555 2710

2720 1 . 13414 2 . 40749 1 .87623 1 . 16108 2 .44704 1 .88065 1 .18772 2 -48586 1 .88482 2720

2730 1 . 12947 2 .40061 1 .87544 1 .15637 2 .44014 1 . 87990 1 . 18296 2 .47895 1 .88409 2730

O "7 /. A ^ / 4U 1 . 12483 2 .39375 1 . 87465 11 C 1 z. o

. 1 5 L 68 2 . 43 32 1 L . 87913 1 . 17 823 2 .47206 1 .88336 2740

2750 1 . 12021 2 .38693 1 .87385 1 . 14701 2 .42642 1 .87837 1 . 17352 2 .46520 1 .88262 2750

2760 1 .11561 2 .38013 1 .87306 1 . 14237 2 .41961 1 .87760 1 . 16883 <:

/. O 1 ~T • 45 o J ( I .88189 2760

2770 1 .11105 <1 3 7 "a ^ c; 1 .87226 1 .13776 2 .41282 1 . 87684 1 . 16417 2 .45156 1 .88115 2770

2780 1 .10650 2 .36661 I .87146 I .13316 2 .40606 1 .87606 1 . 15954 2 . 44478 1 .88041 2780

<C 1 7 U 1 1 n 1 Q Q 2 .35989 11

fl 7 n A C\ 1 9 w A n 1i

111 C A O O 2 .43803 1

f3 7 Q A A

2800 1 .09748 2 .35320 1 .86984 1 .12406 2 . 39261 1 .87452 1 .15034 2 .43131 1 .87392 2800

2810 1 .09301 2 . 34653 1 .86904 1 .11954 2 .38593 1 .87374 1 . 14578 C. A 7 A. A 1 • H £. *t O L 1 .87817 2810

2820 1 .08856 2 .33989 1 . 86822 1 .11504 2 . 37928 1 . 87296 1 . 14124 2 .41794 I .87742 2820

2830 1 .08414 2 .33323 1 .86741 1 .11057 2 .37265 1 .87217 1 .13672 2 .41130 1 .87666 2830

1 • U f 7 ( J 2 .32670 1I R A A ^ Q 1

1 OA 1 9 C. • ^^ Ao Ano u u

11

ft 7 1 "^Q 1 . 13223 2 .40468 1 .87591 t Of\J

2850 1 .07535 2 .32014 1 .86577 1 .10170 2 .35947 1 .87060 1 .12776 2 .39809 1 .87515 2850

2860 1 .07100 2 .31360 1 .86495 1 .09730 2 . 35292 I .86981 1 .12332 2 .39152 1 .87439 2860

2870 I .06666 2 .30710 1 .86413 1 .09292 2 .34639 1 .86902 1 .11889 2 .38498 1 .87363 2870

2880 1 .06235 2 .30061 1 . 86330 1 .08856 2 . 33989 1 .86822 1 .11449 2 .37846 1 .87286 2880

o Q Q n i n o n ~7 2 .29416 1i Q A A. T 1i 2 .33342 11 n A7^ 1 .11012 2 .37197 1 .87209

2900 1 .05380 2 .28772 1 . 86164 1 .07992 2 .32697 1 .86663 1 .10576 2 .36551 1 .87132 2900

2910 1 .04956 2 .28132 1 .86081 1 .07563 2 .32055 1 .86583 1 . 10143 2 .35907 1 .87055 2910

2920 1 .04533 2 .27494 1 .85997 1 .07136 2 .31415 1 .86502 1 .09712 2 .35265 1 .86978 2920

2930 1 .041 13 2 .26858 1 .85914 1 .06711 2 . 30777 1 .86422 1 .09283 2 . 34626 1 .86900 2930

2940 1 .03695 2 .26224 1 . 85829 1 .06289 2 . 30142 1 .86341 1 .08856 2 .33989 1 .86822 2940

2950 1 .03280 2 .25594 1 .85745 1 .05869 2 .29510 1 .86260 1 .08432 2 .33355 1 .86744 2950

2960 1 .02866 2 .24965 1 .85661 1 .05451 2 .28879 1 .86178 1 .08009 2 .32723 1 .86666 2960

2970 1 .02455 2.24339 1 .85576 1 .05035 2 .28252 1 .86097 1 .07589 2 .32094 I .86588 2970

2980 1 .02045 2 .23716 1 .85491 1 .04621 2 .27626 1 .86015 1.07171 2 .31467 1.86509 2980

2990 1 .01638 2 .23094 I .85405 I .04209 2 .27003 1 .85933 1 .06755 2 .30842 1 .86430 2990

3000 1 .01233 2 .22475 1 .85320 1 .03800 2 .26383 1 .85850 1 .06341 2.30220 1 .86351 3000

3010 1 .00830 2.21859 1 .85234 1 .03392 2 .25764 1 .85768 1 .05929 2 .29600 1 .86271 3010

3020 1 .00429 2 -21245 1 .85148 1 .02987 2 -25148 1 .85685 1 .05519 2 .28982 1 .86191 3020

3030 I .00030 2 .20633 1 .85062 1 .02583 2.24535 1 .85602 1 .05111 2.28367 1 .86112 3030

3040 0 .99633 2 .20023 1 .84975 1 .02182 2 .23923 1 -85519 1 .04705 2 .27754 1 .86032 3040

3050 0 .99238 2. 19416 1 .84889 1 .01782 2 .23314 1 .85436 1 .04302 2 .27143 1 .85951 3050

3060 0 .98845 2 .18811 1 .84802 1 .01385 2 -22707 1 .85352 1 .03900 2 .26534 I .85871 3060

3070 0.98454 2 .18208 1 .84715 1 .00989 2 .22103 I .85268 1 .03500 2.25928 1 .85790 3070

3080 0 .98065 2 .17607 1 .84627 1 .00596 2 .21500 1 .85184 1 .03102 2 .25324 1 .85709 3080

3090 0 .97677 2 .17009 1 .84540 1 .00204 2 -20900 1 .85100 1 .02706 2 .24722 1 .85628 3090

250
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

V -(F°-E°)/T S° C° -(Fo-Eo)/T 3° C° -(F°-E§)/T 3°

-1 ° ^ cm

T

1 — A 7 nn T =•~ 4^ RO fW1 nVJ . =4900

3100 0 .97292 2 .16413 1 .84452 0.99815 2 .20302 1 .85015 1 .02313 2 .24123 1 .85546 3100

3110 0 .96909 2 .15819 1 .84364 0.99427 2 . 19706 1 .84930 1 .01921 2 .23525 1 .85465 3110

O^ 1\. c.\J ?n Q^^ S 7 7 O£. 1 S ? P 7 1I . o ^ ^ 1 J \J m 7 7 VJ *T X o . 1X Q7 1X 1X ^J

1X R4R4S 1X • 0VJ 1X SJ J^ 1X c . t.??QC. 7 J^0VJ 1X . Vj J J O J 3120

A\j QA 1 A o . 70 1. T O c.9 . 1 T D ^ O11 . H4O T 1X R7O 1 VJ . 7 O VJ 1 C . \.o J C- cIX . 84760 1 .01142 c .22337 1X .85301 3130

nu . i T V -I VJ

11 . O ^ U 7 O flVJ . 9R7 o ? 7^r J ? 1X . 84O ^ AVJ 7'i 1 J 1 .00756 . C.? 1X 741 7 AVJ I .85218 3140

3150 0 .95395 2 .13465 1 . 84009 0.97895 2 .17345 1 . 84589 1 .00372 2 .21157 1 .85136 3150

3160 0 .95021 2 .12882 1 . 83920 0.97517 2 . 16760 1 .84503 0 .99989 2 .20570 1 .85053 3160

^ 1 7n n . Q4A4Q 7 *T D ^ 7 2 . 12301 1 ft^ ft nVJ .. 977 f 1X 4n7 VJ .. 1X A1VJ X 77r f 1X .. R44 VJ 7 ^ 1X 71 0 .99609 2 . 19986 1^ . 849 70 3170

J^ 11. ftn o u n 94?7ft 2 .11722 1L . 83740 2 . 15597 IX . 84330 0 .99230 2 .1940 3 I .84887 3180

n 2 .11145 I . 83650 0. 96393 2 . 15018 . 84244 0 .98853 2 . 18823 I . 84804 3 190

3200 0 .93543 2 .10571 1 .83560 0.96022 2 . 14442 1 .84157 0 .98478 2 . 18245 1 .84720 3200

3210 0 .93179 2 .09998 1 .83470 0.95653 2 .13867 1 . 84070 0.98104 2 .17668 1 .84636 3210

J C. ^ V 9? R 1 A 2 .09428 1L . U J J 1 7 0.952 85 2 . 1 3295 \ . 83983 0.97733 2 .17094 I . 84552 3220

32 30 0 . 92454 2 .08859 I . 83288 0. 94920 2 . 12724 \ .83895 0 .97363 2 .16522 1 . 84468 3230

J ^ . 92095 2 .08293 I .83197 0 . 94556 2 .12156 -83808 * \J -f \J yj Kj 0 . 96995 2 . 15952 1 . 84383 3240

3250 0 .91737 2.07728 1 . 83106 0.94194 2 .11590 1 .83720 0 . 96629 2 .15384 1 .84299 3250

3260 0 .91381 2 .07166 1 .83014 0.93833 2 .11026 1 .83632 0 .96264 2 . 14818 1 .84214 3260

0 . 91027 2 .06606 1 .82922 0 . 93475 2 . 10463 .83543 0 .95901 2. 14254 1 .84129 3270

J ^ O \J 0 . 90674 2 .06047 1 .82 830 0.93118 2 .09903 \ . 83455 0 . 95540 2 .13692 I . 84043 3280

n 2 .05491 1L . 82738 VJ . 7 r VJ J 2 .09345 1X . 83366 0 .95181 2 .13132 I .839 58 3290

3300 0 .89974 2 .04936 1 .82646 0.92409 2 .08788 1 .83277 VJ . 7 T O t -J 2 . 12573 1 .83872 3300

3310 0 .89626 2 .04384 1 .82553 0.92057 2 .08234 1 . 83188 0 .94467 2 . 12017 1 .83786 3310

J J c. vy 0 .89281 2 .03833 11. .82460 0. 91707 2 .07681 1X . 83098 0 .941 13 2 .11463 \ . 83700 3320

3330 0 .88936 2 .03285 1 . 82367 0.91359 2 .07131 1X . fl ^ 008 VJ . 93760 2 . 10911 I . 836 14 3330

J J ^ V/ 0 .88594 2 .02738 1

1. . 82274 VJ . 7 X Vy X ^ 2.06582 1X .82919 VJ . 7 U 7 VJ J 2 . 10360 I . 83527 3340

3350 0 .88253 2 .02193 1 .82180 0.90667 2 .06036 1 .82828 0 .93060 2 .09812 1 .83440 3350

3360 0 .87914 2 .01650 1 . 32086 0.90323 2 .05491 1 .82738 0 .92712 2 .09265 1 .83353 3360

0 .87576 2 .01109 1L . HIO X 99? 7 7 f) RQ9R

VJ . O 7 7 O X 2 .04948 1X R? A4fl 0 .92366 2 .08720 1X • 83266 3370

J J CI Vy 0.87240 2 .00570 1X . R1O X RQH O 7 O VJ . O 7 D ^ X 2 .04407 1 .82557 0 .92022 2.08177 1X . R^O ^ X1 7Rf VJ ^ ^ RO

J J 7 U 0 .86905 2 .00033 1L . O X O \J ^ VJ . O 7 J VJ ^ 2 .03868 1 .82466 0 .91679 2 .07636 1X . flO ^OQ 1 JJ VJ 7 X QO

3400 0 .86572 1 .99498 1 .81709 0.88965 2 .03330 1 .82375 0 .91338 2 .07097 1 .83003 3400

3410 0 .86241 I .98964 1 .81614 0.88629 2 .02795 1 .82283 0 .90998 2 .06560 1 .82915 3410

^47n j> ^ t. w 0 .85911 1.98432 1X . O X X 7 f)VJ . HO flO ^7 Q7 RJ 2 .02261 1 .82192 0 .90660 2 .06024 1 .82827 J 7 t_ W

0 .85583 1 .97903 1X R 1 4? VJ . O 1 7 VJ J 2 .01729 1 .82100 0 .90323 2 .05491 1 .82738 J 7 J VJ J ^ ^ w 0 .85256 1 .97375 1X . flO 1X .J ^? Ro VJ . O 1 VJ J7 ^ 2 .01199 1 .82008 0 .89988 2 .04959 1 .82649 J 77 VJ

3450 0 .84931 1 .96848 1 .81232 0.87303 2 .00671 1 .81916 0 .89655 2 .04429 1 .82561 3450

3460 0 .84607 1 .96324 1 .81136 0.86975 2 .00145 1.81823 0 .89323 2 .03901 1 .82471 3460

3470 0 .84285 1 .95801 1X R 1 n4n flVJ . RAA4R O VJ VJ'T o 1 .99620 1 .81730 0 .88992 2 .03374 1 .82382 ^470 J 7 1 VJ 3480 0.83965 1 .95280 1X . Rn94^ O VJ 7*T J VJ . O VJ J C 7 I .99097 1 .81638 0 .88664 2 .02849 1.82293 J 7^ VJ VJ 3490 0 .83646 1 .94761 1X . Rnfl47 O ij O ^ 1 nVJ . RAfinn O U VJ VJ VJ 1 .98576 1 .81544 0 .88336 2 .02326 I .82203 ^4Q0 J 7 7 VJ

3500 0.83328 1 .94244 1X . 80750 \y • o ^ u 1 7 I .98057 1 .81451 0 .88010 2.01805 1 .82113 3500

3510 0 .83012 1 .93729 1 .80653 0.83358 1 .97539 1 .81358 0 .87686 2 .01286 I .82023 3510

3520 0 .82697 1 .93215 1 .80555 0.85039 1 .97024 1 .81264 0 .87363 2 .00768 1 .81933 3520

3530 0 .82384 1 .92703 1 . 80458 0.84722 I .96509 1.81170 0 .87042 2 .00252 1 .81842 3530

3540 0 .82072 1 .92192 1 .80360 0.84406 1 . 95997 1 .81076 0 .86722 1 .99738 1 .81751 3540

3550 0 .81762 1 .91684 1 .80262 0.84091 1 .95486 1 .80982 0 .86403 1 .99225 1 .81660 3550

3560 0 .81453 1 .91177 1 .80164 0.83778 1 .94977 1 .80887 0 .86086 1 .98714 1 .81569 3560

3570 0 .81 145 1.90671 I .80066 0.83467 1 .94470 1 .80792 0 .85770 1 .98205 1 .81478 3570

3580 0.80839 1 .90168 1 .79967 0.83157 1 .93965 1 . 80697 0.85456 1 .97698 1 .81386 3580

3590 0.80534 1 .89666 1 . 79868 0.82848 I .93461 1 .80602 0.85143 I .97192 1 .81295 3590

251

I

\

C°P V

-1
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

y -(F°-Eo)/T so C° -(F°-E°)/T S° -(F°-Eo)/T S° C° V

T =4700. T =4800. T =4900

3600 0.80231 1 .89166 1 . 79769 0.82540 1 . 92958 1 . 80507 0. 84832 1 .96688 1 . 8 1203 3600

3610 0. 79929 1 .88667 1 .79670 0.82234 1 .92458 1 .80411 0.84522 1 .96185 1 .81110 3610

3620 0. 79629 1 .88170 1 . 79571 0.81930 1 .91959 1 .80315 0. 84213 1 .95684 1 .81018 3620

3630 0. 79330 1 . 87675 1 .79471 0. 81626 1 .91462 1 . 80219 0. 83906 1 .95185 1 .80926 3630

3640 0. 79032 1 .87182 1 . 79371 0.81324 1 . 90966 1 . 80123 0. 83600 1 .94687 1 . 80833 3640

3650 0. 78735 1 .86690 1 . 79271 0.81024 1 .90472 1 .80027 0. 83296 1 .9419

I .80740 3650

3660 0. 78440 1 .86199 1 .79171 0.80725 1 . 89980 1 .79930 0.82992 1 .93697 1 .80647 3660

3670 0

78147 1 .85711 1 . 79071 0.80427 1 .89489 1 .79833 0. 82691 1 .93204 1 .80553 3670

3680 0. 77854 1 .85223 1 . 78970 0.80130 1 . 89000 I .79736 0. 82390 1 .927 13 1 .80460 3680

3690 0. 77563 1 .34738 1 . 78869 0. 79835 1 .88512 1 .79639 0. 82091 1 .92223 1 .80366 3690

3700 0. 77273 1 .84254 1 . 78768 0.79541 1 .88026 1 . 79542 0. 8 1793 1 .91735 1 .80272 3700

3710 0. 76985 1 .83772 1 .78667 0.79249 1 .87541 1 . 79444 0. 81497 1 .91249 1 .80178 3710

3720 0. 76698 1 .83291 1 . 78565 0. 78958 1 . 87059 1 . 79346 0. 81202 1 .90764 1 .80084 3720

3730 0. 76412 1 .82812 1 .78464 0.78668 I .86577 1 . 79248 0. 80908 1 .90281 1 .79989 3730

3740 0. 76127 1 .82334 1 . 78362 0. 78379 1 . 86097 1 .79150 0. 80615 1 .89799 1 . 79895 3740

3750 0. 75844 1 .81858 1 .78260 0.78092 1 . 85619 1 .79052 0. 80324 1 .89319 1 .79800 3750

3760 0. 75562 1 .81383 1 .78157 0.77805 1 .85142 1 .78953 0. 80034 1 .38840 1 .79705 3 760

3770 0. 7528 1 1 .80910 1 . 78055 0.77521 1 . 84667 1 .78854 0. 79745 1 .88363 1 .79609 3770

3780 0. 75001 1 .80439 1 . 77952 0. 77237 1 . 84 194 1 . 78756 0. 79458 1 .87887 1 .79514 3780

3790 0. 74723 I .79969 1 . 77849 0. 76955 1 .83721 1 .78656 0. 79171 1 . 3741

1 . 79418 3790

3800 0. 74446 I .79500 1 . 77746 0.76674 1 .83251 1 .78557 0. 78886 1 .86941 1 .79322 3800

3810 0. 74170 1 .79033 1 .77643 0.76394 1 .82782 1 .78457 0. 78603 I .86469 1 .79226 3810

3820 0. 73895 1 .78568 1 .77540 0.76115 1 .82314 1 . 78358 0. 78320 1 . 86000 1 .79130 3820

3830 0. 73622 1 .78104 1 . 77436 0.75838 1 .81848 1 .78258 0. 78039 1 .85531 1 . 79034 3830

3840 0. 73350 1 .77641 1 .77332 0.75562 1 .81383 1 .78157 0. 77759 1 .85065 1 .78937 3840

3850 0. 73079 1 .77180 1 . 77228 0.75287 1 .80920 1 .78057 0. 77480 1 .84600 1 .78840 3850

3860 0. 72809 1 .76720 1 .77124 0.75013 1 .80458 1 .77957 0. 77202 1 .64136 1 .78743 3860

3870 0. 72540 1 .76262 1 .77019 0.74740 1 . 79998 1 .77856 0. 76926 1 .83673 1 .78646 3870

3880 0. 72273 1 .75806 1 . 76914 0.74469 1 . 79539 1 .77755 0. 76651 1 .83212 1 .78549 3880

3890 0. 72007 1 .75350 1 . 76810 0.74199 1 .79082 1 . 77654 0.763^7 1 .82753 1 . 78451 3890

3900 0. 71742 1 .74896 1 .76704 0.73930 1 .78626 1 .77552 0. 76104 1 .82295 1 .78354 3900

3910 0. 71478 1 .74444 1 .76599 0.73662 1 .78171 1 .77451 0. 75832 1 .81838 1 .78256 3910

3920 0. 71215 I .73993 1 . 76494 0.73395 1 .77718 1 .77349 0. 75562 1 .81383 1 .78157 3920

3930 0. 70953 1 .73544 1 .76388 0.73129 1 .77266 1 .77247 0. 75292 1 .80929 1 .78059 3930

3940 0. 70693 1 .73095 1 .76282 0.72865 1 . 76816 1 .77145 0. 75024 I .80477 1 .77961 3940

3950 0. 70433 1.72649 1 . 76176 0.72602 1 .76367 1 .77043 0. 74757 1 .80026 1 .77862 3950

3960 0. 70175 1 .72203 1 .76070 0.72340 1 .75920 1 .76941 0.74491 1 .79576 1 .77763 3960

3970 0. 69918 1 .71760 1 .75964 0. 72079 1 .75473 1 .76838 0. 74226 I . 79128 1 .77664 3970

3980 0.69662 I .71317 1 . 75857 0.71819 1 .75029 1 .76735 0. 73963 1 .78681 1 .77565 3980

3990 0. 69407 1 .70876 1 .75750 0.71560 1 .74585 1 .76632 0. 73700 1 .78236 1 .77465 3990

4000 0. 69154 1 .70436 1 .75643 0.71302 1 .74143 1 . 76529 0. 73439 1 .77792 1 .77366 4000

1

252

i1
cm

-1

Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and °K)

•(F°-Eg)/T S° C°

P

V

cm

-1 cm

V

-1

-(f°-e°)/t s° c°

p

V

cm

T=5000, T=5000.

100 7.07943 9.03814 1.98703 100

110 6.89287 8.84876 1.98700 110

120 6.72281 8.67587 1.98697 120

130 6.56659 8.51683 1.98694 130

140 6.42217 8.36958 1.98690 140

600 3.65945 5.48001 1.98224 600

610 3.62938 5.44725 1.98208 610

620 3.59985 5.41502 1.98191 620

630 3.57082 5.3833L 1.98174 630

640 3.54230 5.35210 1.98156 640

150 6. 28791 8. 23250 1. 98686 150

160 6. 16250 8. 10427 1. 98682 160

170 6. 04486 7. 98382 1. 98677 170

180 5. 93411 7. 87026 1. 98673 180

190 5. 82951 7. 76285 1. 98668 190

650 3. 51426 5. 32138 1. 98139 650

660 3. 48669 5. 29113 1. 98121 660

670 3. 45958 5. 26134 1. 98103 670

680 3. 43290 5. 23199 1. 98084 680

690 3. 40666 5. 20307 1. 98065 690

200 5. 73041 7. 66095 1. 98662 200 700 3. 38083 5. 17458 1. 98046 700

210 5. 63629 7. 56402 1. 98657 210 710 3. 35541 5. 14648 1. 98027 710

220 5. 54667 7. 47161 1. 98651 220 720 3. 33037 5. 11879 1. 98008 720

230 5. 46117 7. 38330 1. 98644 230 730 3. 30572 5. 09148 1. 97988 730

240 5. 37942 7. 29876 1. 98638 240 740 3. 28145 5. 06454 1. 97968 740

250 5. 30113 7. 21768 1. 98631 250

260 5. 22601 7. 13977 1- 98624 260

270 5. 15384 7. 06481 1. 98617 270

280 5. 08439 6. 99258 1. 98610 280

290 5. 01748 6. 92289 1. 98602 290

750 3. 25753 5. 03797 1. 97947 750

760 3. 23396 5. 01175 1. 97927 760

770 3. 21074 4. 98588 1. 97906 770

780 3. 18785 4. 96035 1. 97885 780

790 3. 16529 4. 93514 1. 97863 790

300 4. 95293 6. 85556 1. 98594 300

310 4. 89059 6. 79044 1. 98585 310

320 4. 83032 6. 72740 1. 98577 320

330 4. 77198 6. 66629 1. 98568 330

340 4. 71547 6. 60702 1. 98559 340

350 4. 66068 6. 54946 1. 98549 350

360 4. 60751 6. 49353 1. 98539 360

370 4. 55587 6. 43913 1. 98529 370

380 4. 50569 6. 38619 1. 98519 380

390 4. 45688 6. 33462 1

98509 390

800 3. 14304 4. 91025 1. 97842 800

810 3. 12111 4. 88568 1. 97820 810

820 3. 09947 4. 86140 1. 97798 820

830 3. 07813 4. 83743 1. 97775 830

840 3. 05708 4. 81375 1. 97752 840

850 3. 03630 4. 79034 1. 97729 850

860 3. 01580 4. 76722 1. 97706 860

870 2. 99557 4. 74436 1. 97682 870

880 2. 97560 4. 72177 1. 97658 880

890 2. 95588 4. 69944 1. 97634 890

400 4. 40937 6 .28437 1 .98498 400

410 4. 36310 6 .23535 1 , 98487 410

420 4. 31802 6 .18753 1 .98475 420

430 4. 27406 6 .14082 1 .98464 430

440 4. 23118 6 .09520 1 .98452 440

450 4. 18932 6 .05060 1 .98440 450

460 4. 14844 6 .00699 1 .98427 460

470 4. 10850 5 .96432 1 .98414 470

480 4. 06946 5 .92255 1 .98401 480

490 4. 03127 5 .88164 1 .98388 490

500 3. 99392 5 .84156 1 .98375 500

510 3. 95736 5 .80228 1 .98361 510

520 3. 92156 5 .76376 1 .98347 520

530 3. 88650 5 .72598 1 .98332 530

540 3. 85214 5 .68891 1 .98318 540

550 3. 81846 5 .65252 1 .98303 550

560 3. 78544 5 .61679 1 .98288 560

570 3. 75305 5 .58170 1 .98272 570

580 3. 72127 5 .54722 1 .98256 580

590 3. 69007 5 .51333 1 .98240 590

900 2 .93642 4 .67736 1 .97610 900

910 2 .91719 4 .65552 1 .97585 910

920 2 .89821 4 .63393 1 .97560 920

930 2 .87946 4 .61258 1 .97535 930

940 2 .86094 4 .59145 1 .97510 940

950 2 .84264 4 .57055 1 .97484 950

960 2 .82456 4 .54987 1 .97458 960

970 2 .80669 4 .52941 1 .97432 970

980 2 .78904 4 .50916 1 .97405 980

990 2 .77159 4.48912 1 .97378 990

1000 2 .75434 4 .46929 1 .97351 1000

1010 2 .73729 4 .44965 1.97324 1010

1020 2 .72043 4 .43021 1 .97296 1020

1030 2 .70376 4 .41096 1 .97269 1030

1040 2 .68728 4.39191 1 .97240 1040

1050 2 .67098 4 .37303 I .97212 1050

1060 2 .65486 4 .35434 1 .97183 1060

1070 2 .63891 4 .33583 1 .97154 1070

1080 2 .62314 4 .31749 1 .97125 1080

1090 2 .60753 4 .29932 1 .97096 1090

638951 O - 62 - 18 253
Table II Harmonic Oscillator Contributions to the Thermodynamic I

Functions (in units of calories, moles, and °K) |

i V -(f°-e°)/t S°

P

2/ U -(F°-Eo)/T S° c°

p -1 cm

-1 cm

-1 cm

-1 cm

T=500C. T =5000.

1100 2 .59209 4.28132 1 .97066 1100 1600 1 .98124 D S4 S Q ^ X 74 1X ftO nU nVJ 1110 2 .57682 4. 26349 . 97036 1110 1610 1 .97150 3 4 3 ^ 7ft X1 X1 ftO 1X nu 1120 2 .56170 4.24532 I . 97006 1120 1620 1 .96183 3 S? 1 ftS 1X 1 S7

1 130 2 4.22831 1 . 96975 1130 1630 1I • Q7 ^r> t 9 A*t 3 .5096 7 I .95113 1630

1140 2 .53194 4.21096 1 .96944 1140 1640 1 .94272 3 .49774 1 .95070 164C

1150 2 .51729 4. 19376 1 . 9691

1150 1650 I .93328 3 .4858 8 I .9502 5 1650

1 160 2 .50278 4, 17671 1 . 96882 1160 1660 1 .92390 3 .47410 I . 94981 1660

1170 2 .48843 4 . 15981 1 . 96850 1170 1670 1 .91460 3 .462 39 1X .949 36 1 ft 70

1180 2 .474 21 4. 14306 I . 96819 1180 1680 1 3 .45075 1 . 94892 1680

1190 2 .46014 4. 12645 1 .96787 1190 1690 1 .89620 3 .43919 1 .94846 1690

1200 2 .44621 4. 10999 1 . 96754 1200 1700 1 .88711 3 . 42769 1 . 9480

1 700

1210 2 .43241 4.09366 1 . 96721 1210 1710 1 .87808 3 .41627 I . 94755 1710

1220 2 .41875 4.07747 1 . 96689 1220 1720 1 .86911 3 . 4049 1 1 .94710 1720

1230 2 .40522 4.06141 1 .96655 1230 1730 I . 86022 3 . 39363 1 . 94663 1730

1240 2 .39182 4.04549 1 .96622 1240 1740 1 .85139 3 .38241 1 .94617 1740

1250 2 .37854 4.02970 1 . 96588 1250 1750 1 .84262 3 .37126 1 . 94570 1750

1260 2 .36540 4.01404 1 .96554 1260 1760 1 .83392 3 . 360 1

1 . 9452 3 1760

1270 2 .35237 3.99850 1 .96520 1270 1770 1 .82528 3 . 349 1 5 I . 94476 1 770

1280 2 . 33947 3. 98309 1 . 96486 1280 1780 1 . aO 1X ftU 7 f) f u 3 . 33820 I . 94429 1780

1290 2 .32669 3.96780 1 .96451 1290 1790 1 .80818 3 . 32731 1 .94381 1790

1300 2 .31403 3.95263 1 .96416 1300 1800 1 .79972 3 . 3 1648 1 .94333 1800

1310 2 .30148 3.93758 1 . 96380 1310 1810 1 .79133 3 .30571 I . 94285 1810

1320 2 .28905 3.92265 1 .96345 1320 1820 1 .78299 3 .29501 I . 94236 1820

1330 oc 3.90783 1 . 96309 1330 18 30 1L 774 7 1 3 . 28437 I .94188 18 30

1340 2 3.89313 1 .96273 1340 1840 1 .76649 3 .27379 1 .94139 1840

1350 2 .25242 3.87854 1 . 96237 1350 1850 1 .75833 3 .26327 I . 94090 1850

1360 2 .24043 3. 86405 I . 96200 1 360 1860 1 .75022 3 .25281 I . 94040 1860

1370 2 .22854 3. 84968 1 .96163 1370 1870 1 .74217 3 . 24240 I . 93991 1870

1380 5c .21676 3.83542 1 .96126 1380 1880 1X 7 ^4 1 H 3 .2 3206 I . 93941 1880

1390 2 .20508 3.82126 1 .96089 1390 1890 1 . 72624 3 .22177 1 .93890 1890

1400 2 . 19351 3. 80720 1 . 96051 1400 1900 1 .71835 3 .21154 1 . 93840 1900

1410 2 . 18203 3. 79325 1 .96013 1410 1910 1 .71052 3 .20137 1 . 93789 1910

1420 2 . 17065 3.77940 1 .95975 1420 1920 1 .70274 3 .19125 1 .93738 1920

1430 1 S9 ^ 7 3.76565 1 .95937 1430 19 30 1 ft Q S f1 1 . O 7 J U X 3 .18118 1 . 93687 1930

1440 2 .14819 3.75199 1 .95898 1440 1940 1 .68734 3 .17118 1 .93636 1940

1450 2 . 13710 3 .73844 I .95859 1450 1950 1 .67971 3 . 16122 .93584 1950

1460 2 . 12610 3.72498 I .95 820 1460 1960 1 .67214 3 .15132 I . 93532 1960

1470 2 .11519 3.71161 I . 95780 1470 1970 1 .66462 3 . 14147 I . 93480 1970

1480 2 .10438 3.698 34 I . 95 740 1480 1980 1 Ac;7 1 K 3 . 13168 I . 93427 1980

1490 2 .09365 3.68516 1 .95700 1490 1990 1 .64973 3 . 12194 1 .93375 1990

1500 2 .08302 3.67207 1 . 95660 1500 2000 1 .64235 3 . 1 1224 I .93322 2000

1510 2 .07247 3. 659C 7 I . 95620 1510 2010 1 .63503 3 . 10260 I .93268 2010

2 .06200 J • \J ^ \J X. \J 1 . 95579 1 5?n 1 .62775 3 .09 301 \ .93215 2020

X J L/ 2.05162 3.63334 1 . 95538 1 S3fl 70 30 1 .62052 3 .08347 I .93161 2030

2 .04132 J m kJ £- \J \J \J 1k . 95497 1 .61334 3 .0 7 398 I .93107 2040

1550 2 .03111 3.60795 1 .95455 1550 2050 1 .60620 3 .06454 1 .93053 2050

1560 2 .02098 3.59538 1 .95413 1560 2060 1 .59911 3 .05515, 1 .92999 2060

1570 2 .01093 3.58290 1 .95371 1570 2070 1 .59206 3 .04580 1 .92944 2070

1580 2 .00095 3. 57049 1 .95329 1580 2080 1 . 58506 3 .03651 1 .92889 2&80

1590 1 .99106 3.55817 1 .95286 1590 2090 1 .57811 3 .02726 1 .92834 2090

254
Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

V -(f°-e°)/t O V

7/

1/ -(F°-Eo)/t S° C°P -1 cm

-1 cm

-1 cm

-1 cm

T1 —— RI> nU n nu • T=^ 000

2100 1 .'j71 19 3.Q18G5 1 .92779 2100 2600 1 .27375 2.60939 1 .89701 2600

Cl IK) I .56433 :> • U U o y U

11 9 1 1 n ^ i i U

7 A 1 n 1 .26863 7 A n 7 1 1 1, 89634 A9 A0 11 nu

c. L c.\J 1 .55750 9 O Q Q 7 H 11 • 0V 9 A A 7 ^ 0 0 / 9 1 9 n C \.C.\J 2620 I .26354 C.7 . S94flA 7 ^ 0 U 1 .89566 A9 AU A9nVJ

1 . 55072 9 Q Q n 7 9 1 Q 9 A 1 1 • 7 COL X. 9 1 1 f 1 26 30 1 .25847 1 . 89498 A9 A0 9^ nU

1 . 54398 9 Q H 1 7 n 1I Q 9 R c; c; 9 1 A n C 1 HU 2640 1 .25343 7 Rn4 1 . 89430 9 A4 n

2150 1 .53728 2.97272 1 .92498 2150 2650 1 .24842 2.57329 1 . 89361 2650

C, xO\J 1 .53063 9 O A 7Q 11 0 9 A A 1 • 7 CHH

^

9 »1 A0 Pu 2660 1 .24343 fc. . -7 U U 1 U 1 .89292 ^ 0 U w

I .52401 7 Q S4Q n 11 QO -1 ft A ? 1 7 n 2670 1 .23847 2. 55906 1 .89223

1 .51744 C.9 • Q" "t AO nU AO

11 • Q9 -2jC9 7t 9 1 ft fl c. u <J u I .23354 C.7 • SJ J 1L Q^ H0 1 .89154 ^7 fttj Hfl 0 u

1 .5109 I c.9 • U7 0 7(CO9 A i • Q97 CC.O7 9 A Q C9 1L7\J a p 1 .22863 7 R44q4 1 . 89085 7 AQD

2200 i .50441 2.92850 1 .92211 2200 2700 1 .22375 2.53792 1 .89015 2700

C.C. \.\J 1 .49796 9 Q 1 Q 7 Q 1L 9 9 1/1 CClKJ 77 1 n 1 .21890 Cm J D\J7 *y 1 . 88945 7 7 1 n

^ ^ ^ VJ i .49155 9 Q 1 1 1 1 1i Q 9 no 1^ 9 9 9 n ^ ^1 Z U 7 7 7n 1 .21407 9 c; 9 9Q Q A • J C J7 0 1 .88875 7 7 7 P

^ 41 U 1 .48517 9 Q n 9 Z» ft 1 Q 9 n A ^9 ^9 J> nu 1 .20926 7 SI 7ns 1 . 88805 77^n

t <1 T U 1 .47883 9 Q Q a o Q 1 • Q7 1L7Q 71 7f c

9 cH\J 9 A n 7740 1 . 20449 9 s 1 n 1 s 1 . 88735 7 74n

2250 1 .47254 2*88534 1 .91918 2250 2750 1 . 19973 Z. 50327 1 .88664 2750

c. c- U U 1 .46628 9 R 7 Afl ^ 11 • Q7 i

1 fta 3 Q7 ^19 ^9 AH0 U 2760 1 .19501 1 . 88593 7 7 Afl

I .46005 9 ft A ft ^ A 11 • Q711 7177Q Q CC9 9 7nf Kj 7770 1 . 19030 7 4R9A

t. . T 0 7 0 X 1 .88522 7 77n

2280 I .45387 c- « O J 7 ~ J

11 Q 1 7 An ^? ^7 ft0 nu 2780 1 .18562 2.48282 1 . 88450 7 7 fl n

C. £. 7 W 1 .44772 9 ft s 1

c; A. t • O -J i I? *T L • Q^ 1 A ft n i 0 0 u

9 9 on 1 . 18097 7 47Ans I .88378 C.7 7Qf) 1 7W

2300 1 .44161 2.84319 1 .91619 2300 2800 1 .17634 2.46931 I .88307 2800

1 .43553 9 ft "^Afl ft 11 • V L J -> 7 ^ ^ 1 u 2810 1 . 17174 1 .88235 ^7 flU 1X nu

c. J c. w 1 .42949 ^

0 •

ft0 £9 A0 A0 0U

1L Q 1 AQ ft 9 ^ 9 n 2820 1 .16715 2.45591 1 .88162

t— J J \J I .42349 9 Q 1 u -a 7 11 Q 1 A'^7 ^9 J ^9 i"» u 2830 1 . 16260 t.7 . 44Q7S 7 T 7 ^ J 1 .88090 7 p n

1 .41752 9 ft 1 n 1 7 1 • Q7 1 ^ 7 A i J / 0 ^9 J AH*+ u 2840 1 . 15806 7 447A7 1 .88017 7 ft4n

2350 1 .41158 2.80201 1 .91314 2350 2850 1 . 15355 2.43601 1 . 87944 2850

t. J O I .40569 9 7Q ft Q 11 Q 1 9 1 9 ^ A n 7 SAD 1 .14906 ^7 • 47 ^7 Q47*T 7 1 .87871 A9 ft0 A0 nU

? ^ 7n 1 .39982 9 7 ft f\ ft n 1 Q 1 1 Q 1 • 7 i 1 7 1 9 ^ 7 c. 0 f 1 . 14460 7 4 7 7 ft A 1 .87797 A9 ft0 7n# U

t. _/ o u 1 . 39399 c % 1 1 1 1 0

1i • Q7 1 1 9 Q t \.C7 C 3 0\J 2880 1 . 14015 ^7 . 47 1X A0 J^ SJ 1 . 87724 A9 fl0 ft0 nv

1 .38819 9 7 AO 7 A. ^ • 1 O7 f H

1i •71Q 1 nUOOA A 9 a Q A t.?H9n U 7 1 .13573 ^7 . 4nQR4 7 w 7 0 7 1 . 87650 A9 ft0 on7 U

2400 1 .38243 2.76177 1 .91003 2400 2900 1 .13134 2.40336 1 .87576 2900

74 1 n 1 .37670 9 7 a. 0 ^ 1 • 7U7H

9 A 1 n ?9 1 f) 1 . 12696 ^7 . TJ 97 A0 Q7 nu 1 . 87501 A9 Q7 1

1 nu

c_ ^ £. U 1 .37100 9 7/. c: Q 9 i • on7 u ft0 771 / 9 A 9 n ^ H ^: U ?9?n 1 . 12261 £ . J 7 \J 7 I 1 . 87427 A9 Q7 A9 nU

J V/ 1 .36533 9 7 ft n q 11 Q n ft 1 A 9 A 0 n ^?9'in 7 J L. 11828 7 "^^40 7 1 .87352 A9 Q"^ 7 9 nU

?44n 1 . 35970 9 7 "5 n 9 9 1I a n 7 <R 1 C*ff\J t. 7 ^ u 1 .11397 7 ^77Aft l .87277 9 Q A n A 7*f U

2450 1 .35410 2.72242 1 .90687 2450 2950 1 . 10968 2.37133 I .87202 2950

£- ~ ^ KJ 1 . 34853 0 71 A A R 1 a n A 9 "3 9 A A n ^?QAn 7 0 u 1 . 10541 A9 • ^AAQQ J 0 •+ 7 7 1 .87126 9 OA A A 70U

1 .34299 9 7n AO 9 1 Q A C C 0

• 7U !> D 0

9 A 7 A C7t\J 9Q7n 1 .10117 9 S ft A ft 1 . 87051 9 a 7 n A 7 f U

t ^ o u 1 .33749 9 A Q Q 9 9 c. •O77 C C.

1i • 07U*t HA OA 9 A 0 n <i9 Qft 7 0 nu 1 .09694 9 ^ ^ 9 A n A • 9 9 AT U 1 . 86975 A 7 0 U

1 .33201 9 AQ 1 A 1 on A 9 Q • 7\jHc 7

9 A on t9 QQ7 7 nu 1 .09274 9 "2 A A 1 '1 A • 9** 0 i 9 1 .86899 9 0 on A 7

2500 1 .32657 2.68392 1 .90364 2500 3000 1 .08856 2.33989 1 . 86822 3000

2510 1 .32115 1

i. • on7\J C79 QQ7 1 .08440 A9 ^ A ft • 9 9 9 0 0 1 . 86746 9 u 1 u 2520 1 .31577 ^7 . hhm D D 0 f h0

1I • 7 U ^ J J 7 R 7 n —

-1J

fW) 7 nw 1 .08026 A9 • ^9 A9 7t AT Q7 1 .86669 9 nU 9 n A u 2530 I .31041 7 ^ift 1 7 ^ 1 on 1 A ft t 7 J u 3030 1 .07614 A9 • '^91^9 J7 A X 9 A 1 .86592 9A nu 9 nu

<- ^ ~w I .30509 7 A ^ 7 1L Q n 1 n 9 • VU i u ^ J W T U 1 .07204 A9 • 9^ 1i S9 1

i. 71 1 . 86515 a n A n 9 UhU

2550 1 .29980 2.64626 I .90035 2550 3050 1 .06796 2.30905 1 .86438 3050

2560 1 .29453 2.63882 1 .89969 2560 3060 1 .06390 2.30294 1 .86360 3060

2570 1 .28929 2.63142 1 .89902 2570 3070 1 .05986 2.29687 1 . 86282 3070

2580 1 .28409 2.62404 1 .89836 2580 3080 1 .05584 2.29081 1 -86204 3080

2590 1 .27891 2.61670 1 .89769 2590 3090 1 .05184 2.28477 1 .86126 3090

255
V

-1 cm

Table II Harmonic Oscillator Contributions to the Thermodynamic

Functions (in units of calories, moles, and "K)

•(F°-Eg)/T S° C°P cm

-1 era

(f°-e°)/t S° P cm

T=5000. T=5000.

3100 1 .04786 2 .27876 1 . 86048 3100 ^oUU U • o ( lUo 2 . 00355 1 .81 860 3600

31 10 1 .04390 2 .27277 1 .85969 3110 30 1

f\U « Q ^ "7 O T

1 . 9985 1 I .81771 3610

3120 1 .03996 2 .26680 1 . 85890 3120 U « oo H ; y 1 .99 34 8 1 . 81682 3620

3130 1 .03604 2 .26065 I .85811 3130 3630 0. 86168 1 .98847 1 .81593 3630

3140 1 .03213 2 .25493 1 . 85732 3140 3640 0. 85859 1 .98348 1 .81503 3640

3150 1 .02825 2 .24902 1 .85652 3150 J AO J nu nu • O c c c; rv 1 O "7 Q c r\ i .81414 3650

3160 1 .02438 2 .24314 1 .85572 3160 1^ AoouAH u • OOCH D 1 .9(333 1 .81324 3660

3170 1 .02054 2 .23728 1 .85492 3170 A 7 n u • I O A O C . 9doD9 1 .81234 3670

3 180 1 .0167 1 2 .23144 I . 85412 3180 3680 0. 84633 I .96366 1 .81144 3680

3190 1 .01290 2 .22562 1 .85332 3190 3690 0, 84330 1 .95874 1 .81053 3690

3200 1 .00910 2 .21982 1 . 8525 1 3200 OH U ^ 7

1I Q C a Q A • rf Z> D OH I Q r\ Q iL o ^ 7 rt n 3210 1 .00533 2 .21404 1 .85171 3210 ^ f i U U • O 1 7 Q D (

1 OA a A • Vh O V O11 . 80872 3710

3220 1 .00157 2 .20828 1 . 85090 3220 U • O

Q Q

3 AH ^

O QV I Q A A Q • VhhU V 1. . o U f 8 1 1 t r\ 3 720

3230 0 . 99783 2 .20254 1 . 85008 3230 3730 0. 83132 1 .93924 1 . 80690 3730

3240 0 .9941

2 . 19683 1 .84927 3240 3740 0. 82835 1 .93441 1 .80598 3740

3250 0 .99041 2 .19113 1 . 84845 3250 nu • Q '9 A n 1. Q o a o • y ^ 3 o L Q r\ c /^ "7 3(50

3260 0 .98672 2 .18545 1 .84763 3260

"^7 AO r\U • O^Q 9 o A A ^ HO 1 Q O A 7 O 1 . 8U4 i D 3760

3270 0 .98306 2 . 17979 1 . 84681 3270 'XTT Ci D 1 1 \J U • Q 1 Q C A o i y !) H i Q 1 Q O O • V i V ^ y

1I . 80323 "a 7 7 /"i 3280 0 . 97940 2 .17416 1 . 84599 3280 3780 0. 81663 1 .91521 1 .80231 3780

3290 0 .97577 2 . 16854 1 . 84517 3290 3790 0. 81373 1 .91045 1 . 80139 3790

3300 0 .97215 2 . 16294 1 . 84434 3300 '%ft on nKJ m O i U u H

1i Q n f\ 7 11I Q n n A A 3 o n r» 30UU

3310 0 .96855 2 .15736 I . 84351 3310 DOft 1 n \.\J u • QoUn 7 O A f V o 1 Q ^1 A O O 11 7 r> r\ c "5 . (9953 3810

3320 0 .96497 2 . 15180 1 . 84268 3320 a Q 9 n U • oUo iU 1 o n ^ o A

• 0^0 AO 1 .79861 3820

3330 0 . 96 140 2 . 14626 1 .84185 3330 3830 0. 80225 1 •89156 I . 79768 3830

3340 0 .95785 2 . 14074 1 .84101 3340 3840 0* 79941 1 .88687 1 .79674 3840

3350 0 .95432 2 .13524 1 .84018 3350 DOD\J n 7 Q A a i J. 7 Q P Q 1 . 1 7 5 t) i 1 o c r\ 3360 0 .95080 2 .12975 1 . 83934 3360 ^ R AH U . 7 Q 1 7 7 11 D "7 7 A i 7 Q A O 7 . f 9HO

"a O i A 3860

3370 0 .94730 2 .12429 1 .83850 3370 DO 1 \J U • 7 Q n Q 7 i Q 7 O O A .01 <:9u 1 7 o 1 n . (9393 7 O 7 3870

3380 0 .94 382 2 .11834 1 . 83765 3380 3880 0. 78318 1 .86827 1 .79299 3880

3390 0 .94035 2 .11341 1 .83681 3390 3890 0. 78540 1 .86366 1 .79205 3890

3400 0 .93690 2 . 10800 1 . 83596 3400 3900 0 . 78 264 1 .85906 I .79111

3410 0 .93346 2 .1026 1 1 .83511 3410 3910 0 . 77988 1 .85447 1 .79016 ^91 n 3420 0 .93004 2 .09724 1 . 83426 3420 3920 0

77714 1 .84990 1 .78922 ^9?f)

3430 0 .92664 2 .09189 1 .83341 3430 3930 0. 77441 1 .84535 1 .78827 3930

3440 0 .92325 2 .08655 1 .83255 3440 3940 0. 77169 1 .84080 1 .78732 3940

3450 0 .91987 2 .08123 1 .83170 3450 3950 0. 76898 I .83627 1 .78636 3950

3460 0 .91651 2 .07593 1 .83084 3460 3960 0 . 76629 1 .83176 1 . 78541 3960

3470 0 .91317 2 .07065 1 . 82998 3470 3970 0

76360 1 .82726 I .78445 "^970

3480 0 . 90984 2 .06538 1 .82911 3480 3980 0 . 76093 1 .82277 1 .78350 J 7 O VJ 3490 0 .90653 2 .06014 1 .82825 3490 3990 0. 75827 1.81829 1. 78254 3990

3500 0 .90323 2 .05491 1 .82738 3500 4000 0. 75562 1.81383 1 .78157 4000

3510 0 .89995 2 .04969 1 .82651 3510

3520 0 .89668 2 .04450 1 .82564 3520

3530 0 .89343 2 .03932 1 .82477 3530

3540 0 .89019 2 .03416 1 . 82389 3540

3550 0 .88696 2 .02902 1 .82302 3550

3560 0 .88375 2 .02389 1 .82214 3560

3570 0 .88056 2 .01878 1 .82126 3570

3580 0 .87738 2 .01369 1 . 82037 3580

3590 0 .87421 2 .00861 1 .81949 3590

256
THE NATIONAL BUREAU OF STANDARDS

Functions and Activities

The functions of the National Bureau of Standards are set forth in the Act of Congress,

March 3, 1901, as amended by Congress in Public Law 619, 1950. These include the development and maintenance of the national standards of measurement and the provision of means

and methods for making measurements consistent with these standards; the determination of

physical constants and properties of materials; the development of methods and instruments

for testing materials, devices, and structures; advisory services to government agencies on

scientific and technical problems; invention and development of devices to serve special needs

of the Government; and the development of standard practices, codes, and specifications. The

work includes basic and applied research, development, engineering, instrumentation, testing,

evaluation, calibration services, and various consultation and information services. Research

projects are also performed for other government agencies when the work relates to and supplements the basic program of the Bureau or when the Bureau's unique competence is required.

The scope of activities is suggested by the listing of divisions and sections on the next page.

Publications

The results of the Bureau's research are published either in the Bureau's own series of

publications or in the journals of professional and scientific societies. The Bur.eau itself publishes three periodicals available from the Government Printing Office: The Journal of Research,

published in four separate sections, presents complete scientific and technical papers; the Technical News Bulletin presents summary and preliminary reports on work in progress ; and Basic

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communications throughout the world. There are also five series of nonperiodical publications:

Monographs, Applied Mathematics Series, Handbooks, Miscellaneous Publications, and Technical Notes.

A complete listing of the Bureau's publications can be found in National Bureau of Standards Circular 460, Publications of the National Bureau of Standards, 1901 to June 1947 ($1.25),

and the Supplement to National Bureau of Standards Circular 460, July 1947 to June 1957

($1.50), and Miscellaneous Publication 240, July 1957 to June 1960 (Includes Titles of Papers

Published in Outside Journals 1950 to 1959) ($2.25); available from the Superintendent of

Documents, Government Printing Office, Washington 25, D.C.

257
U.S. DEPARTMENT OF COMMERCE

Luther H. Hodges, Secretary

NATIONAL BUREAU OF STANDARDS

A. V. Astin, Director

THE NATIONAL BUREAU OF STANDARDS

The scope of activities of the National Bureau of Standards at its major laboratories in Washington, D.C., and Boulder

Colorado, is suggested in the following listing of the divisions and sections engaged in technical work. In general, each

section carries out specialized research, development, and engineering in the field indicated by its title. A brief description of the activities, and of the resultant publications, appears on the preceding page. WASHINGTON, D.C.

Electricity. Resistance and Reactance. Electrochemistry. Electrical Instruments. Magnetic Measurements. Dielectrics. High Voltage.

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OflBce of Weights and Measures.

BOULDER, COLO.

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Circuit Standards. 258

U.S. GOVERNMENT PRINTING OFFICE; 1962 O—638951



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