MacSPARTAN '08 MECHANICS PROGRAM: x86/Darwin       132


 Frequency Calculation


  Reason for exit: Successful completion 
  Mechanics CPU Time :          .05
  Mechanics Wall Time:          .52

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

Job type: Geometry optimization.
Method: RB3LYP
Basis set: 6-31G(D)
Number of shells: 88
Number of basis functions: 231
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     -506.196125       0.025370       0.129769
            2     -506.200655       0.007331       0.123095
            3     -506.201464       0.002808       0.099396
            4     -506.201689       0.000815       0.088250
            5     -506.201766       0.001002       0.033656
            6     -506.201789       0.000514       0.014562
            7     -506.201794       0.000114       0.003632
            8     -506.201795       0.000033       0.000595

  Reason for exit: Successful completion 
  Quantum Calculation CPU Time :      9:27.23
  Quantum Calculation Wall Time:      9:57.19


MacSPARTAN '08 Semi-Empirical Program:  (x86/Darwin)          build  131       
    Semi-empirical Property Calculation 

  M0001                                                                      

  Guess from Archive
    
  Energy Due to Solvation
   Solvation Energy SM5.4/A          1.772
  Memory Used:          2.518 Mb
  Reason for exit: Successful completion
  Semi-Empirical Program CPU Time :          .03
  Semi-Empirical Program Wall Time:          .55


SPARTAN PROPERTIES PACKAGE: MAC/P4             build 132    
   
   

  Reason for exit: Successful completion 
  Properties CPU Time :          .72
  Properties Wall Time:          .95

molecule M0001 terminated normally



End-   molecule "M0001" Wed Jan 18 16:51:51 2012