MacSPARTAN '08 MECHANICS PROGRAM: x86/Darwin       132


 Frequency Calculation


  Reason for exit: Successful completion 
  Mechanics CPU Time :          .04
  Mechanics Wall Time:         4.77

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

Job type: Geometry optimization.
Method: RB3LYP
Basis set: 6-31G(D)
Number of shells: 8
Number of basis functions: 30
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     -113.216188       0.265542       0.300000
            2     -113.286973       0.183965       0.300000
            3     -113.304252       0.127865       0.121207
            4     -113.308704       0.041964       0.029923
            5     -113.309443       0.006761       0.005747
            6     -113.309461       0.000462       0.000367
            7     -113.309461       0.000005       0.000004

  Reason for exit: Successful completion 
  Quantum Calculation CPU Time :         2.10
  Quantum Calculation Wall Time:        12.03


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         20.086
  Memory Used:          32.27 Kb
  Reason for exit: Successful completion
  Semi-Empirical Program CPU Time :          .01
  Semi-Empirical Program Wall Time:         4.70


SPARTAN PROPERTIES PACKAGE: MAC/P4             build 132    
   
   

  Reason for exit: Successful completion 
  Properties CPU Time :          .06
  Properties Wall Time:         4.76

molecule M0001 terminated normally



End-   molecule "M0001" Mon Feb  4 15:38:05 2013