****************** Program SCF ******************* 
 This program is designed to read in the LCAO-MO 
 coefficient matrix (or generate one), the one- 
 and two-electron AO integrals and form a CLOSED 
 SHELL Fock matrix (i.e., a Fock matrix for species 
 with all doubly occupied orbitals). It then solves 
 the Fock equations; iterating until convergence to 
 six significant figures in the energy expression. 
 A modified damping algorithm is used to insure 
 convergence. 
 ************************************************** 
 
 scf          -- memory usage in bytes:    259780
  
 Ready to continue? <y or n> 
y

 Input the number of orbitals in your system: 
9
 Using          235 words of available memory. 
 Would you like to have the: overlap integrals read 
 from disk? <y or n>
y
 Please enter the name of the file from which to 
 read ( the default will be: overlap ) 

 The overlap integrals will be read from file: overlap                       
 The overlap integrals read completed from file: overlap

 You must choose a method of generating some 
 initial MO-AO guess vectors.  Your choices are: 

   1.) Use MO-AO guess vectors resulting from 
       diagonalization of the one-electron 
       Hamiltonian. 
   2.) Read the MO-AO guess vectors from disk. 
   3.) Input the MO-AO coefficients by hand. 

 Input choice: < 1, 2, or 3 > 

1
 Would you like to have the: 1e- and 2e- integrals read 
 from disk? <y or n>
y
 Please enter the name of the file from which to 
 read ( the default will be: ao_integrals.dat ) 

 The 1e- and 2e- integrals will be read from file: ao_integrals.dat            
  
 Using         1432 words of available memory. 
 Please input the number of doubly occupied 
 orbitals. 
5
There is(are)  5 doubly occupied orbital(s). 
 Would you like to have the: nuclear repulsion read 
 from disk? <y or n>
y
 Please enter the name of the file from which to 
 read ( the default will be: NucRep ) 

 The nuclear repulsion will be read from file: NucRep                        
 The nuclear repulsion read completed from file: NucRep
 Iteration:  1 Total energy is:     -71.7873383 down --> OK. 
 Iteration:  2 Total energy is:     -34.2045364 up --> damp next.
 Iteration:  3 Total energy is:     -36.8512917 down --> OK. 
 Iteration:  4 Total energy is:     -40.2101784 down --> OK. 
 Iteration:  5 Total energy is:     -39.6431541 up --> damp next.
 Iteration:  6 Total energy is:     -39.6820488 down --> OK. 
 Iteration:  7 Total energy is:     -39.7338257 down --> OK. 
 Iteration:  8 Total energy is:     -39.7250404 up --> damp next.
 Iteration:  9 Total energy is:     -39.7256203 down --> OK. 
 Iteration: 10 Total energy is:     -39.7264290 down --> OK. 
 Iteration: 11 Total energy is:     -39.7262993 up --> damp next.
 Iteration: 12 Total energy is:     -39.7262993 down --> OK. 
 Convergence is met. 
 Would you like to see the orbital 
 energies? 
y
 The eigenvalues of the converged 
 Fock matrix are: 

            1            
     ------------- 
  1 -0.1102913E+02 
  2 -0.9159635E+00 
  3 -0.5271308E+00 
  4 -0.5220144E+00 
  5 -0.5209594E+00 
  6  0.7185652E+00 
  7  0.7210495E+00 
  8  0.7335846E+00 
  9  0.7763052E+00 


 Would you like to have the: Fock orbital energies written 
 to disk? <y or n>
y
 Please enter the name of the file in which to 
 write ( the default will be: orbital.evals ) 

 The Fock orbital energies will be written to file: orbital.evals              
   
 The Fock orbital energies write completed to file: orbital.evals
 Would you like to see the converged 
 MO-AO coefficients? 
y
 The converged MO-AO coefficients are: 

            1              2              3              4              5      
     -------------  -------------  -------------  -------------  ------------- 
  1 -0.9918914E+00 -0.2217264E+00  0.1834355E-02  0.8887900E-08  0.4329744E-06 
  2 -0.3870555E-01  0.6255051E+00 -0.1022091E-01 -0.3084008E-06 -0.3147574E-03 
  3  0.1841274E-05 -0.1852933E-03  0.8717409E-02  0.1633992E-03 -0.5729459E+00 
  4 -0.4504251E-06 -0.1915021E-08 -0.1186797E-04  0.5727084E+00  0.1624931E-03 
  5 -0.2271791E-03  0.6987951E-02  0.5728894E+00  0.9672721E-05  0.8651390E-02 
  6  0.7287517E-02  0.1869716E+00  0.5151665E+00  0.8290567E-05  0.7845074E-02 
  7  0.7022686E-02  0.1776982E+00 -0.1691005E+00  0.1366646E-03 -0.4934533E+00 
  8  0.7038524E-02  0.1783104E+00 -0.1807038E+00 -0.4245149E+00  0.2420149E+00 
  9  0.7039128E-02  0.1783099E+00 -0.1807215E+00  0.4243705E+00  0.2422565E+00 

            6              7              8              9            
     -------------  -------------  -------------  ------------- 
  1 -0.3516482E-02 -0.3153912E-05 -0.7709480E-01  0.2408808E+00 
  2  0.2125280E-01  0.2030910E-04  0.4846609E+00 -0.1579858E+01 
  3  0.1105512E+01  0.1123330E-03 -0.3173241E-01  0.5881083E-02 
  4 -0.1128318E-03  0.1108218E+01 -0.1711696E-05  0.1275100E-04 
  5 -0.2822094E-01 -0.2713431E-06 -0.1062887E+01 -0.3533534E+00 
  6  0.1854814E-01 -0.7984855E-05  0.8281326E+00  0.9897181E+00 
  7 -0.1022999E+01 -0.1105718E-03 -0.5139831E+00  0.5197472E+00 
  8  0.4838134E+00  0.8719347E+00 -0.5590884E+00  0.5294011E+00 
  9  0.4839902E+00 -0.8718495E+00 -0.5590856E+00  0.5293803E+00 


 Would you like to have the: MO-AO coefficients written 
 to disk? <y or n>
y
 Please enter the name of the file in which to 
 write ( the default will be: mocoefs.dat ) 

 The MO-AO coefficients will be written to file: mocoefs.dat                   

 The MO-AO coefficients write completed to file: mocoefs.dat


Ready to exit and clear the screen? <y or n> 
y

STOP qmic