Entering Link 1 = c:\program files\G98W\l1.exe PID=      2152.
  
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 Cite this work as:
 Gaussian 98, Revision A.7,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, Jr., 
 R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, 
 A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, 
 V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, 
 S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, 
 K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, 
 J. B. Foresman, J. Cioslowski, J. V. Ortiz, A. G. Baboul, 
 B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, 
 R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, 
 C. Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, 
 P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, J. L. Andres, 
 C. Gonzalez, M. Head-Gordon, E. S. Replogle, and J. A. Pople, 
 Gaussian, Inc., Pittsburgh PA, 1998.

 *********************************************
 Gaussian 98:  x86-Win32-G98RevA.7 11-Apr-1999
                  28-Aug-2002 
 *********************************************
 %chk=chcl3.chk
 Default route:  SCF=tight MaxDisk=2000MB
 ------------------------------------------
 # b3lyp/6-31g* freq geom=check guess=check
 ------------------------------------------
 1/10=4,29=2,30=1,38=1/1,3;
 2//2;
 3/5=1,6=6,7=1,11=2,25=1,30=1/1,2,3;
 4/5=1/1;
 5/5=2,32=2,42=-5/2;
 8/6=4,11=11,23=2,27=262144000/1;
 11/6=1,8=1,9=11,15=111,16=11/1,2,10;
 10/6=1/2;
 6/7=2,8=2,9=2,10=2,18=1,28=1/1;
 7/8=1,10=1,25=1/1,2,3,16;
 1/10=4,30=1/3;
 99//99;
 -----------
 chcl3 freqs
 -----------
 Redundant internal coordinates taken from checkpointfile:
 chcl3.chk
 Charge =  0 Multiplicity = 1
 C,0,0.,0.,0.4545771398
 H,0,0.,0.,1.540628292
 Cl,0,1.7045678464,0.,-0.0836880614
 Cl,0,-0.8522839232,-1.4761990575,-0.0836880614
 Cl,0,-0.8522839232,1.4761990575,-0.0836880614
 Recover connectivity data from disk.

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Initialization pass.
                         ----------------------------
                         !    Initial Parameters    !
                         ! (Angstroms and Degrees)  !
 ------------------------                            -------------------------
 ! Name  Definition              Value          Derivative Info.             !
 -----------------------------------------------------------------------------
 ! R1    R(1,2)                  1.0861         calculate D2E/DX2 analyticall!
 ! R2    R(1,3)                  1.7875         calculate D2E/DX2 analyticall!
 ! R3    R(1,4)                  1.7875         calculate D2E/DX2 analyticall!
 ! R4    R(1,5)                  1.7875         calculate D2E/DX2 analyticall!
 ! A1    A(2,1,3)              107.525          calculate D2E/DX2 analyticall!
 ! A2    A(2,1,4)              107.525          calculate D2E/DX2 analyticall!
 ! A3    A(2,1,5)              107.525          calculate D2E/DX2 analyticall!
 ! A4    A(3,1,4)              111.3454         calculate D2E/DX2 analyticall!
 ! A5    A(3,1,5)              111.3454         calculate D2E/DX2 analyticall!
 ! A6    A(4,1,5)              111.3454         calculate D2E/DX2 analyticall!
 -----------------------------------------------------------------------------
 Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-07
 Number of steps in this run=  20 maximum allowed number of steps= 100.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic     Atomic              Coordinates (Angstroms)
 Number     Number      Type              X           Y           Z
 ---------------------------------------------------------------------
    1          6             0        0.000000    0.000000    0.454577
    2          1             0        0.000000    0.000000    1.540628
    3         17             0        1.704568    0.000000   -0.083688
    4         17             0       -0.852284   -1.476199   -0.083688
    5         17             0       -0.852284    1.476199   -0.083688
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  H    1.086051   0.000000
     3  Cl   1.787535   2.354561   0.000000
     4  Cl   1.787535   2.354561   2.952398   0.000000
     5  Cl   1.787535   2.354561   2.952398   2.952398   0.000000
                           Interatomic angles:
      H2-C1-Cl3=107.525       H2-C1-Cl4=107.525      Cl3-C1-Cl4=111.3454
     Cl3-H2-Cl4= 77.6514      H2-C1-Cl5=107.525      Cl3-C1-Cl5=111.3454
     Cl3-H2-Cl5= 77.6514     Cl4-C1-Cl5=111.3454     Cl4-H2-Cl5= 77.6514
    Cl3-Cl5-Cl4= 60.    
 Stoichiometry    CHCl3
 Framework group  C3V[C3(CH),3SGV(Cl)]
 Deg. of freedom    3
 Full point group                 C3V     NOp   6
 Largest Abelian subgroup         CS      NOp   2
 Largest concise Abelian subgroup CS      NOp   2
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic     Atomic              Coordinates (Angstroms)
 Number     Number      Type              X           Y           Z
 ---------------------------------------------------------------------
    1          6             0        0.000000    0.000000    0.454577
    2          1             0        0.000000    0.000000    1.540628
    3         17             0        0.000000    1.704568   -0.083688
    4         17             0        1.476199   -0.852284   -0.083688
    5         17             0       -1.476199   -0.852284   -0.083688
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      3.1988931      3.1988931      1.6580057
 Isotopes: C-12,H-1,Cl-35,Cl-35,Cl-35
 Standard basis: 6-31G(d) (6D, 7F)
 There are    46 symmetry adapted basis functions of A'  symmetry.
 There are    28 symmetry adapted basis functions of A"  symmetry.
 Crude estimate of integral set expansion from redundant integrals=1.058.
 Integral buffers will be    262144 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
    74 basis functions      188 primitive gaussians
    29 alpha electrons       29 beta electrons
       nuclear repulsion energy       260.3709486437 Hartrees.
 One-electron integrals computed using PRISM.
 NBasis=    74 RedAO= T  NBF=    46    28
 NBsUse=    74 1.00D-04 NBFU=    46    28
 Initial guess read from the checkpoint file:
 chcl3.chk
 Initial guess orbital symmetries:
       Occupied  (E) (E) (A1) (A1) (E) (E) (A1) (A1) (E) (E) (A2)
                 (E) (E) (E) (E) (A1) (?A) (?B) (?B) (A1) (?A)
                 (?C) (?C) (E) (E) (E) (E) (A1) (A2)
       Virtual   (?D) (?E) (?E) (A1) (?D) (?F) (?F) (?F) (?F) (A1)
                 (?C) (E) (E) (?D) (?D) (?A) (?F) (E) (E) (?C)
                 (?E) (?F) (?D) (?C) (?D) (?C) (?E) (?D) (?F) (?F)
                 (?D) (?A) (?C) (?C) (?F) (?F) (?B) (?B) (?B) (?B)
                 (?D) (A1) (?B) (?B) (A1)
 Requested convergence on RMS density matrix=1.00D-08 within  64 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 SCF Done:  E(RB+HF-LYP) =  -1419.27912068     A.U. after    1 cycles
             Convg  =    0.9671D-09             -V/T =  2.0032
             S**2   =   0.0000
 Range of M.O.s used for correlation:     1    74
 NBasis=    74 NAE=    29 NBE=    29 NFC=     0 NFV=     0
 NROrb=     74 NOA=    29 NOB=    29 NVA=    45 NVB=    45
 G2DrvN: will do    5 atoms at a time, making    1 passes doing MaxLOS=2.
 FoFDir used for L=0 through L=2.
          Differentiating once with respect to electric field.
                with respect to dipole field.
          Differentiating once with respect to nuclear coordinates.
 Integrals replicated using symmetry in FoFDir.
 MinBra= 0 MaxBra= 2 Meth= 1.
 IRaf=       0 NMat=  12 IRICut=      12 DoRegI=T DoRafI=T ISym2E= 2 JSym2E=2.
          There are  12 degrees of freedom in the 1st order CPHF.
  12 vectors were produced by pass  0.
 AX will form  12 AO Fock derivatives at one time.
  12 vectors were produced by pass  1.
  12 vectors were produced by pass  2.
  12 vectors were produced by pass  3.
  12 vectors were produced by pass  4.
  12 vectors were produced by pass  5.
   8 vectors were produced by pass  6.
   3 vectors were produced by pass  7.
   1 vectors were produced by pass  8.
 Inv2:  IOpt= 1 Iter= 1 AM= 1.13D-15 Conv= 1.00D-12.
 Inverted reduced A of dimension  84 with in-core refinement.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital Symmetries:
       Occupied  (E) (E) (A1) (A1) (E) (E) (A1) (A1) (E) (E) (A2)
                 (E) (E) (E) (E) (A1) (?A) (?B) (?B) (A1) (?A)
                 (?C) (?C) (E) (E) (E) (E) (A1) (A2)
       Virtual   (?D) (?E) (?E) (A1) (?D) (?F) (?F) (?F) (?F) (A1)
                 (?C) (E) (E) (?D) (?D) (?A) (?F) (E) (E) (?E)
                 (?C) (?F) (?D) (?C) (?D) (?E) (?C) (?D) (?F) (?F)
                 (?D) (?A) (?C) (?C) (?F) (?F) (?B) (?B) (?B) (?B)
                 (?D) (A1) (?B) (?B) (A1)
 Unable to determine electronic state: an orbital has unidentified symmetry.
 Alpha  occ. eigenvalues -- -101.57486-101.57486-101.57486 -10.37701  -9.49180
 Alpha  occ. eigenvalues --   -9.49180  -9.49179  -7.25648  -7.25646  -7.25646
 Alpha  occ. eigenvalues --   -7.24547  -7.24546  -7.24546  -7.24533  -7.24533
 Alpha  occ. eigenvalues --   -7.24532  -0.94936  -0.84802  -0.84802  -0.66170
 Alpha  occ. eigenvalues --   -0.51572  -0.48126  -0.48126  -0.35945  -0.35945
 Alpha  occ. eigenvalues --   -0.33352  -0.33352  -0.33083  -0.31589
 Alpha virt. eigenvalues --   -0.04964   0.00372   0.00372   0.08140   0.28937
 Alpha virt. eigenvalues --    0.35759   0.35759   0.39658   0.39658   0.40418
 Alpha virt. eigenvalues --    0.42307   0.44697   0.44697   0.48693   0.48693
 Alpha virt. eigenvalues --    0.49685   0.50348   0.59315   0.59315   0.75920
 Alpha virt. eigenvalues --    0.75920   0.78316   0.84127   0.84843   0.84843
 Alpha virt. eigenvalues --    0.85314   0.85314   0.86294   0.87831   0.99447
 Alpha virt. eigenvalues --    1.02092   1.02092   1.05433   1.05433   1.17921
 Alpha virt. eigenvalues --    1.35020   1.70511   1.70511   2.07412   2.07412
 Alpha virt. eigenvalues --    2.13433   3.94816   4.24842   4.24842   4.28954
          Condensed to atoms (all electrons):
              1          2          3          4          5
  1  C    5.381982   0.365397   0.216532   0.216532   0.216532
  2  H    0.365397   0.510941  -0.051163  -0.051163  -0.051163
  3  Cl   0.216532  -0.051163  16.930825  -0.068068  -0.068068
  4  Cl   0.216532  -0.051163  -0.068068  16.930825  -0.068068
  5  Cl   0.216532  -0.051163  -0.068068  -0.068068  16.930825
 Total atomic charges:
              1
  1  C   -0.396975
  2  H    0.277151
  3  Cl   0.039941
  4  Cl   0.039941
  5  Cl   0.039941
 Sum of Mulliken charges=   0.00000
 Atomic charges with hydrogens summed into heavy atoms:
              1
  1  C   -0.119823
  2  H    0.000000
  3  Cl   0.039941
  4  Cl   0.039941
  5  Cl   0.039941
 Sum of Mulliken charges=   0.00000
 Electronic spatial extent (au):  <R**2>=   640.3257
 Charge=     0.0000 electrons
 Dipole moment (Debye):
    X=     0.0000    Y=     0.0000    Z=     1.2757  Tot=     1.2757
 Quadrupole moment (Debye-Ang):
   XX=   -44.3048   YY=   -44.3048   ZZ=   -41.8261
   XY=     0.0000   XZ=     0.0000   YZ=     0.0000
 Octapole moment (Debye-Ang**2):
  XXX=     0.0000  YYY=     3.2839  ZZZ=     3.2230  XYY=     0.0000
  XXY=    -3.2839  XXZ=    -2.4396  XZZ=     0.0000  YZZ=     0.0000
  YYZ=    -2.4396  XYZ=     0.0000
 Hexadecapole moment (Debye-Ang**3):
 XXXX=  -356.6702 YYYY=  -356.6702 ZZZZ=   -58.3120 XXXY=     0.0000
 XXXZ=     0.0000 YYYX=     0.0000 YYYZ=    -3.8247 ZZZX=     0.0000
 ZZZY=     0.0000 XXYY=  -118.8901 XXZZ=   -73.3157 YYZZ=   -73.3157
 XXYZ=     3.8247 YYXZ=     0.0000 ZZXY=     0.0000
 N-N= 2.603709486437D+02 E-N=-3.890921239049D+03  KE= 1.414734071461D+03
 Symmetry A'   KE= 9.081896914150D+02
 Symmetry A"   KE= 5.065443800462D+02
  Exact polarizability:  46.606   0.000  46.606   0.000   0.000  26.181
 Approx polarizability:  67.575   0.000  67.575   0.000   0.000  37.736
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.7971   -2.7188   -2.7072   -0.0117    0.0984    0.1878
 Low frequencies ---  260.9557  260.9595  367.3603
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole),
 Raman scattering activities (A**4/AMU), Raman depolarization ratios,
 reduced masses (AMU), force constants (mDyne/A) and normal coordinates:
                     1                      2                      3
                     E                      E                     A1
 Frequencies --   260.9557               260.9594               367.3603
 Red. masses --    25.9226                25.9225                21.2876
 Frc consts  --     1.0401                 1.0401                 1.6926
 IR Inten    --     0.0199                 0.0199                 0.4284
 Raman Activ --     0.0000                 0.0000                 0.0000
 Depolar     --     0.0000                 0.0000                 0.0000
 Atom AN      X      Y      Z        X      Y      Z        X      Y      Z
   1   6    -0.29   0.00   0.00     0.00  -0.29   0.00     0.00   0.00  -0.48
   2   1    -0.46   0.00   0.00     0.00  -0.46   0.00     0.00   0.00  -0.50
   3  17     0.52   0.00   0.00     0.00  -0.45  -0.03     0.00   0.41   0.06
   4  17    -0.20   0.42  -0.03     0.42   0.28   0.01     0.36  -0.21   0.06
   5  17    -0.20  -0.42   0.03    -0.42   0.28   0.01    -0.36  -0.21   0.06
                     4                      5                      6
                    A1                      E                      E
 Frequencies --   668.1333               737.8525               737.8692
 Red. masses --     7.9905                 9.5389                 9.5391
 Frc consts  --     2.1016                 3.0598                 3.0600
 IR Inten    --     7.1342               188.0041               188.0362
 Raman Activ --     0.0000                 0.0000                 0.0000
 Depolar     --     0.0000                 0.0000                 0.0000
 Atom AN      X      Y      Z        X      Y      Z        X      Y      Z
   1   6     0.00   0.00   0.68     0.00   0.79   0.00     0.79   0.00   0.00
   2   1     0.00   0.00   0.70     0.00   0.57   0.00     0.57   0.00   0.00
   3  17     0.00   0.11  -0.08     0.00  -0.16   0.07    -0.03   0.00   0.00
   4  17     0.10  -0.06  -0.08     0.06  -0.06  -0.03    -0.13   0.06   0.06
   5  17    -0.10  -0.06  -0.08    -0.06  -0.06  -0.03    -0.13  -0.06  -0.06
                     7                      8                      9
                     E                      E                     A1
 Frequencies --  1266.1187              1266.1213              3199.0640
 Red. masses --     1.0739                 1.0739                 1.0890
 Frc consts  --     1.0143                 1.0143                 6.5666
 IR Inten    --    30.8682                30.8629                 0.0470
 Raman Activ --     0.0000                 0.0000                 0.0000
 Depolar     --     0.0000                 0.0000                 0.0000
 Atom AN      X      Y      Z        X      Y      Z        X      Y      Z
   1   6    -0.07   0.00   0.00     0.00  -0.07   0.00     0.00   0.00  -0.09
   2   1     1.00   0.01   0.00    -0.01   1.00   0.00     0.00   0.00   1.00
   3  17     0.00   0.00   0.00     0.00  -0.01   0.01     0.00   0.00   0.00
   4  17     0.00   0.00   0.01     0.00   0.00  -0.01     0.00   0.00   0.00
   5  17     0.00   0.00  -0.01     0.00   0.00  -0.01     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom  1 has atomic number  6 and mass  12.00000
 Atom  2 has atomic number  1 and mass   1.00783
 Atom  3 has atomic number 17 and mass  34.96885
 Atom  4 has atomic number 17 and mass  34.96885
 Atom  5 has atomic number 17 and mass  34.96885
 Molecular mass:   117.91438 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     EIGENVALUES --   564.17677 564.176771088.50116
           X            0.15552   0.98783   0.00000
           Y            0.98783  -0.15552   0.00000
           Z            0.00000   0.00000   1.00000
 THIS MOLECULE IS AN OBLATE SYMMETRIC TOP.
 ROTATIONAL SYMMETRY NUMBER  3.
 WARNING-- ASSUMPTION OF CLASSICAL BEHAVIOR FOR ROTATION
           MAY CAUSE SIGNIFICANT ERROR
 ROTATIONAL TEMPERATURES (KELVIN)      0.15352     0.15352     0.07957
 ROTATIONAL CONSTANTS (GHZ)            3.19889     3.19889     1.65801
 Zero-point vibrational energy      52423.0 (Joules/Mol)
                                   12.52939 (Kcal/Mol)
 WARNING-- EXPLICIT CONSIDERATION OF   3 DEGREES OF FREEDOM AS
           VIBRATIONS MAY CAUSE SIGNIFICANT ERROR
 VIBRATIONAL TEMPERATURES:    375.45   375.46   528.55   961.29  1061.60
          (KELVIN)           1061.62  1821.65  1821.66  4602.71
 
 Zero-point correction=                           0.019967 (Hartree/Particle)
 Thermal correction to Energy=                    0.024433
 Thermal correction to Enthalpy=                  0.025377
 Thermal correction to Gibbs Free Energy=        -0.008218
 Sum of electronic and zero-point Energies=          -1419.259154
 Sum of electronic and thermal Energies=             -1419.254688
 Sum of electronic and thermal Enthalpies=           -1419.253743
 Sum of electronic and thermal Free Energies=        -1419.287338
 
                     E (Thermal)             CV                S
                      KCAL/MOL        CAL/MOL-KELVIN    CAL/MOL-KELVIN
 TOTAL                   15.332             13.729             70.706
 ELECTRONIC               0.000              0.000              0.000
 TRANSLATIONAL            0.889              2.981             40.209
 ROTATIONAL               0.889              2.981             25.157
 VIBRATIONAL             13.554              7.767              5.339
 VIBRATION  1             0.669              1.744              1.655
 VIBRATION  2             0.669              1.744              1.655
 VIBRATION  3             0.740              1.539              1.091
                       Q            LOG10(Q)             LN(Q)
 TOTAL BOT       0.602244D+04          3.779772          8.703247
 TOTAL V=0       0.920079D+13         12.963825         29.850310
 VIB (BOT)       0.170374D-08         -8.768596        -20.190439
 VIB (BOT)  1    0.743963D+00         -0.128449         -0.295764
 VIB (BOT)  2    0.743951D+00         -0.128456         -0.295781
 VIB (BOT)  3    0.496481D+00         -0.304098         -0.700210
 VIB (V=0)       0.260290D+01          0.415457          0.956624
 VIB (V=0)  1    0.139637D+01          0.145001          0.333877
 VIB (V=0)  2    0.139636D+01          0.144998          0.333869
 VIB (V=0)  3    0.120462D+01          0.080851          0.186166
 ELECTRONIC      0.100000D+01          0.000000          0.000000
 TRANSLATIONAL   0.503281D+08          7.701811         17.734074
 ROTATIONAL      0.702357D+05          4.846558         11.159612
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
    1          6           0.000000000    0.000000000    0.000396804
    2          1           0.000000000    0.000000000   -0.000315953
    3         17           0.000195460    0.000000000   -0.000026950
    4         17          -0.000097730   -0.000169273   -0.000026950
    5         17          -0.000097730    0.000169273   -0.000026950
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000396804 RMS     0.000157918

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Internal  Forces:  Max     0.000315953 RMS     0.000152842
 Search for a local minimum.
 Step number   1 out of a maximum of  20
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Second derivative matrix not updated -- analytic derivatives used.
 The second derivative matrix:
                          R1        R2        R3        R4        A1
           R1           0.35964
           R2           0.00456   0.19649
           R3           0.00456   0.02986   0.19649
           R4           0.00456   0.02986   0.02985   0.19649
           A1          -0.00003   0.02913  -0.02591  -0.02591   0.15893
           A2          -0.00003  -0.02592   0.02913  -0.02591  -0.00295
           A3          -0.00003  -0.02592  -0.02591   0.02913  -0.00295
           A4           0.00003   0.02442   0.02441  -0.02783  -0.04047
           A5           0.00003   0.02442  -0.02783   0.02441  -0.04047
           A6           0.00003  -0.02783   0.02441   0.02441  -0.06059
                          A2        A3        A4        A5        A6
           A2           0.15893
           A3          -0.00295   0.15893
           A4          -0.04047  -0.06059   0.21648
           A5          -0.06059  -0.04047  -0.04279   0.21648
           A6          -0.04047  -0.04047  -0.04280  -0.04280   0.21649
     Eigenvalues ---    0.10558   0.10558   0.18582   0.18582   0.23583
     Eigenvalues ---    0.29639   0.29640   0.30361   0.360331000.00000
 Angle between quadratic step and forces=   9.06 degrees.
 Linear search not attempted -- first point.
 Iteration  1 RMS(Cart)=  0.00057510 RMS(Int)=  0.00000004
 Iteration  2 RMS(Cart)=  0.00000006 RMS(Int)=  0.00000001
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.05234  -0.00032   0.00000  -0.00091  -0.00091   2.05143
    R2        3.37795   0.00019   0.00000   0.00075   0.00075   3.37870
    R3        3.37795   0.00019   0.00000   0.00075   0.00075   3.37870
    R4        3.37795   0.00019   0.00000   0.00075   0.00075   3.37870
    A1        1.87666  -0.00006   0.00000  -0.00015  -0.00015   1.87651
    A2        1.87666  -0.00006   0.00000  -0.00015  -0.00015   1.87651
    A3        1.87666  -0.00006   0.00000  -0.00015  -0.00015   1.87651
    A4        1.94334   0.00006   0.00000   0.00014   0.00014   1.94348
    A5        1.94334   0.00006   0.00000   0.00014   0.00014   1.94348
    A6        1.94334   0.00006   0.00000   0.00014   0.00014   1.94348
         Item               Value     Threshold  Converged?
 Maximum Force            0.000316     0.000450     YES
 RMS     Force            0.000153     0.000300     YES
 Maximum Displacement     0.000885     0.001800     YES
 RMS     Displacement     0.000575     0.001200     YES
 Predicted change in Energy=-3.878356D-07
 Optimization completed.
    -- Stationary point found.
                         ----------------------------
                         !   Optimized Parameters   !
                         ! (Angstroms and Degrees)  !
 ------------------------                            -------------------------
 ! Name  Definition              Value          Derivative Info.             !
 -----------------------------------------------------------------------------
 ! R1    R(1,2)                  1.0861         -DE/DX =   -0.0003           !
 ! R2    R(1,3)                  1.7875         -DE/DX =    0.0002           !
 ! R3    R(1,4)                  1.7875         -DE/DX =    0.0002           !
 ! R4    R(1,5)                  1.7875         -DE/DX =    0.0002           !
 ! A1    A(2,1,3)              107.525          -DE/DX =   -0.0001           !
 ! A2    A(2,1,4)              107.525          -DE/DX =   -0.0001           !
 ! A3    A(2,1,5)              107.525          -DE/DX =   -0.0001           !
 ! A4    A(3,1,4)              111.3454         -DE/DX =    0.0001           !
 ! A5    A(3,1,5)              111.3454         -DE/DX =    0.0001           !
 ! A6    A(4,1,5)              111.3454         -DE/DX =    0.0001           !
 -----------------------------------------------------------------------------
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 1|1|UNPC-UNK|Freq|RB3LYP|6-31G(d)|C1H1Cl3|PCUSER|28-Aug-2002|0||# B3LY
 P/6-31G* FREQ GEOM=CHECK GUESS=CHECK||chcl3 freqs||0,1|C,0.,0.,0.45457
 71398|H,0.,0.,1.540628292|Cl,1.7045678464,0.,-0.0836880614|Cl,-0.85228
 39232,-1.4761990575,-0.0836880614|Cl,-0.8522839232,1.4761990575,-0.083
 6880614||Version=x86-Win32-G98RevA.7|HF=-1419.2791207|RMSD=9.671e-010|
 RMSF=1.579e-004|Dipole=0.,0.,0.5018774|DipoleDeriv=1.5076719,0.,0.0001
 348,-0.0000001,1.5078027,0.,0.0000301,0.,0.2786211,-0.0877651,0.,-0.00
 00184,0.,-0.0877763,0.,0.000002,0.,0.0168354,-0.7713007,0.0000001,0.05
 09779,0.,-0.1752215,0.,0.1577516,0.,-0.0984608,-0.3242722,-0.2581324,-
 0.0255179,-0.258119,-0.622342,-0.0441988,-0.078884,-0.1366226,-0.09847
 88,-0.3242721,0.2581325,-0.025518,0.2581188,-0.6223421,0.0441987,-0.07
 88838,0.1366227,-0.0984788|Polar=46.6056696,-0.0000005,46.6064635,-0.0
 002859,-0.0000002,26.1811965|PG=C03V [C3(C1H1),3SGV(Cl1)]|NImag=0||0.2
 3628327,0.,0.23629096,0.00000025,0.,0.52552788,-0.03612648,0.,-0.00000
 032,0.05781124,0.,-0.03612454,0.,0.,0.05781121,-0.00000116,0.,-0.35558
 200,0.00000013,0.,0.35964433,-0.10218010,0.,0.04575765,-0.01891840,0.,
 0.00435049,0.17998417,0.,-0.03125204,0.,0.,0.00446068,0.,0.,0.03567569
 ,0.02704246,0.,-0.05664777,0.02903848,0.,-0.00135435,-0.05030531,0.,0.
 04346835,-0.04898620,-0.03071645,-0.02287881,-0.00138364,-0.01012353,-
 0.00217498,-0.02944548,-0.02316635,-0.00288742,0.07175281,-0.03071383,
 -0.08445263,-0.03962851,-0.01012310,-0.01307365,-0.00376689,-0.0201452
 3,-0.00443953,0.00155335,0.06248740,0.14390705,-0.01352099,-0.02342068
 ,-0.05664842,-0.01451919,-0.02514825,-0.00135416,0.00009846,0.00327725
 ,0.00726689,0.02515266,0.04356568,0.04346835,-0.04898620,0.03071644,-0
 .02287881,-0.00138364,0.01012354,-0.00217499,-0.02944548,0.02316634,-0
 .00288742,0.00806344,-0.00151056,0.00278895,0.07175281,0.03071384,-0.0
 8445263,0.03962851,0.01012310,-0.01307365,0.00376689,0.02014523,-0.004
 43953,-0.00155336,0.00151056,-0.04194845,0.00172390,-0.06248740,0.1439
 0705,-0.01352100,0.02342067,-0.05664842,-0.01451919,0.02514825,-0.0013
 5416,0.00009847,-0.00327725,0.00726689,0.00278895,-0.00172390,0.007266
 89,0.02515265,-0.04356568,0.04346835||0.,0.,-0.00039680,0.,0.,0.000315
 95,-0.00019546,0.,0.00002695,0.00009773,0.00016927,0.00002695,0.000097
 73,-0.00016927,0.00002695|||@


 YE HAVE SOWN MUCH, AND BRING IN LITTLE.
 YE EAT, BUT YE HAVE NOT ENOUGH.
 YE DRINK, BUT YE ARE NOT FILLED WITH DRINK.
 YE CLOTHE YOU, BUT THERE IS NONE WARM.
 AND HE THAT EARNETH WAGES EARNETH WAGES TO PUT
 IT INTO A BAG WITH HOLES.
                                     HAGGAI I,6
 Job cpu time:  0 days  0 hours  4 minutes 29.0 seconds.
 File lengths (MBytes):  RWF=   10 Int=    0 D2E=    0 Chk=    6 Scr=    1
 Normal termination of Gaussian 98.