MacSPARTAN '08 MECHANICS PROGRAM: x86/Darwin       132


 Frequency Calculation


  Reason for exit: Successful completion 
  Mechanics CPU Time :          .05
  Mechanics Wall Time:         4.72

MacSPARTAN '08 Quantum Mechanics Program:  (x86/Darwin)     build  132v4

Job type: Geometry optimization.
Method: RHF
Basis set: 3-21G(*)
Number of shells: 39
Number of basis functions: 153
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    -6346.478192       0.023282       0.415025
            2    -6346.489914       0.017325       0.247630
            3    -6346.489287       0.014255       0.096870
            4    -6346.490873       0.004295       0.054079
            5    -6346.490990       0.003105       0.024540
            6    -6346.491035       0.000433       0.001756
            7    -6346.491036       0.000223       0.002034
            8    -6346.491037       0.000059       0.000618

  Reason for exit: Successful completion 
  Quantum Calculation CPU Time :      3:04.22
  Quantum Calculation Wall Time:      3:21.42


SPARTAN PROPERTIES PACKAGE: MAC/P4             build 132    
   
   

  Reason for exit: Successful completion 
  Properties CPU Time :          .27
  Properties Wall Time:         4.94

molecule M0001 terminated normally



End-   molecule "M0001" Fri Jun 21 13:04:56 2013