MacSPARTAN '08 MECHANICS PROGRAM: x86/Darwin       131


 Frequency Calculation

  Adjusted 7 (out of 60) low frequency modes

  Reason for exit: Successful completion 
  Mechanics CPU Time :          .09
  Mechanics Wall Time:         4.94

MacSPARTAN '08 Quantum Mechanics Program:  (x86/Darwin)     build  131v4

Job type: Geometry optimization.
Method: RHF
Basis set: 3-21G(*)
Number of shells: 55
Number of basis functions: 149
Multiplicity: 1

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    -1603.792395       0.110469       0.208241
            2    -1603.818594       0.067884       0.213849
            3    -1603.836197       0.040593       0.194343
            4    -1603.847986       0.020187       0.232988
            5    -1603.856651       0.018566       0.249075
            6    -1603.863736       0.017874       0.254552
            7    -1603.869738       0.016125       0.255583
            8    -1603.874797       0.013600       0.253110
            9    -1603.878864       0.010284       0.251332
           10    -1603.881751       0.009298       0.247328
           11    -1603.883166       0.006544       0.109764
           12    -1603.883269       0.002687       0.209002
           13    -1603.882876       0.004141       0.155881
           14    -1603.883309       0.001078       0.013037
           15    -1603.883315       0.000464       0.002503
           16    -1603.883316       0.000087       0.001193

  Reason for exit: Successful completion 
  Quantum Calculation CPU Time :      5:26.91
  Quantum Calculation Wall Time:      6:03.41


SPARTAN PROPERTIES PACKAGE: MAC/P4             build 131    
   
   

  Reason for exit: Successful completion 
  Properties CPU Time :          .41
  Properties Wall Time:         5.22

molecule M0001 terminated normally



End-   molecule "M0001" Fri Jun 21 16:45:38 2013