MacSPARTAN '08 MECHANICS PROGRAM: x86/Darwin       132


 Frequency Calculation


  Reason for exit: Successful completion 
  Mechanics CPU Time :          .05
  Mechanics Wall Time:         4.76

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

Job type: Geometry optimization.
Method: RB3LYP
Basis set: 6-31G(D)
Number of shells: 25
Number of basis functions: 94
Multiplicity: 1

SCF model:
 A restricted hybrid HF-DFT SCF calculation will be
 performed using Pulay DIIS + Geometric Direct Minimization


Optimization:
         Step      Energy          Max Grad.      Max Dist. 
            1     -840.550762       0.099636       0.350570
            2     -840.657456       0.058451       0.269554
            3     -840.670192       0.039625       0.097932
            4     -840.676000       0.006999       0.013802
            5     -840.676247       0.001049       0.003481
            6     -840.676250       0.000360       0.001348
            7     -840.676251       0.000071       0.000204

  Reason for exit: Successful completion 
  Quantum Calculation CPU Time :        36.18
  Quantum Calculation Wall Time:        48.36


SPARTAN PROPERTIES PACKAGE: MAC/P4             build 132    
   
   

  Reason for exit: Successful completion 
  Properties CPU Time :          .11
  Properties Wall Time:         4.80

molecule M0001 terminated normally



End-   molecule "M0001" Mon Feb  4 15:43:33 2013