SPARTAN'20 Quantum Mechanics Program:  (x86/Darwin)         build  1.1.0

Job type: Geometry optimization.
Method: RHF
Basis set: 6-31G(D)
Number of basis functions: 261
Number of electrons: 108
Parallel Job: 2 threads

SCF model:
 A restricted Hartree-Fock SCF calculation will be
 performed using Pulay DIIS + Geometric Direct Minimization


Optimization:
         Step      Energy          Max Grad.      Max Dist. 
            1     -578.454568       0.017440       0.083878
            2     -578.452859       0.024526       0.116058
            3     -578.451978       0.031720       0.120430   1
            4     -578.452108       0.023771       0.078819   1
            5     -578.454898       0.014781       0.107561   1
            6     -578.456003       0.012213       0.099524   1
            7     -578.455410       0.017592       0.131234   1
            8     -578.457223       0.008062       0.140407   1
            9     -578.457528       0.005962       0.135486   1
           10     -578.457753       0.004855       0.129463   1
           11     -578.457523       0.006753       0.135138   1
           12     -578.457789       0.004893       0.211277   1
           13     -578.457922       0.004227       0.212031   1
           14     -578.457889       0.003666       0.190921   1
           15     -578.457595       0.006845       0.055524
           16     -578.458107       0.000665       0.028826
           17     -578.458114       0.000685       0.049988

  Reason for exit: Successful completion 
  Quantum Calculation CPU Time :     14:10.99
  Quantum Calculation Wall Time:      7:26.00


SPARTAN'20 Quantum Mechanics Program:  (x86/Darwin)         build  1.1.0

Job type: Single point.
Excited States: 6
Method: RCIS
Basis set: 6-31G(D)
Number of basis functions: 261
Number of electrons: 108
Parallel Job: 2 threads

SCF model:
 A restricted Hartree-Fock SCF calculation will be
 performed using Pulay DIIS + Geometric Direct Minimization

 SCF total energy:    -578.4581141 hartrees

  Reason for exit: Successful completion 
  Quantum Calculation CPU Time :      4:55.69
  Quantum Calculation Wall Time:      2:35.27



SPARTAN'20 Properties Program:  (x86/Darwin)                      build  1.1.0 
   
   

  Reason for exit: Successful completion 
  Properties CPU Time :        0.940
  Properties Wall Time:        0.943


