MacSPARTAN '08 MECHANICS PROGRAM: x86/Darwin       131


 Frequency Calculation


  Reason for exit: Successful completion 
  Mechanics CPU Time :          .08
  Mechanics Wall Time:         4.89

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

Job type: Geometry optimization.
Method: RB3LYP
Basis set: 6-31G(D)
Number of shells: 56
Number of basis functions: 144
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     -349.203983       0.019137       0.166144
            2     -349.206308       0.002123       0.032094
            3     -349.206377       0.000669       0.007612
            4     -349.206381       0.000083       0.007872
            5     -349.206382       0.000043       0.002447

  Reason for exit: Successful completion 
  Quantum Calculation CPU Time :      3:05.30
  Quantum Calculation Wall Time:      3:59.54


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         -7.403
  Memory Used:         882.75 Kb
  Reason for exit: Successful completion
  Semi-Empirical Program CPU Time :          .03
  Semi-Empirical Program Wall Time:         5.54


SPARTAN PROPERTIES PACKAGE: MAC/P4             build 131    
   
   

  Reason for exit: Successful completion 
  Properties CPU Time :          .41
  Properties Wall Time:         6.12

molecule M0001 terminated normally



End-   molecule "M0001" Wed Feb  8 20:02:35 2012