MacSPARTAN '08 MECHANICS PROGRAM: x86/Darwin       131


 Frequency Calculation


  Reason for exit: Successful completion 
  Mechanics CPU Time :          .08
  Mechanics Wall Time:         5.06

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

Job type: Geometry optimization.
Method: RB3LYP
Basis set: 6-31G(D)
Number of shells: 64
Number of basis functions: 185
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     -532.669059       0.023910       0.145169
            2     -532.678517       0.008156       0.141702
            3     -532.680044       0.002586       0.075754
            4     -532.680185       0.000627       0.061788
            5     -532.680222       0.000565       0.027472
            6     -532.680230       0.000174       0.009603
            7     -532.680231       0.000097       0.001657
            8     -532.680231       0.000027       0.000520

  Reason for exit: Successful completion 
  Quantum Calculation CPU Time :      8:47.86
  Quantum Calculation Wall Time:     11:31.45


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        -46.513
  Memory Used:          1.260 Mb
  Reason for exit: Successful completion
  Semi-Empirical Program CPU Time :          .04
  Semi-Empirical Program Wall Time:         5.00


SPARTAN PROPERTIES PACKAGE: MAC/P4             build 131    
   
   

  Reason for exit: Successful completion 
  Properties CPU Time :          .60
  Properties Wall Time:         6.14

molecule M0001 terminated normally



End-   molecule "M0001" Wed Feb  8 20:42:55 2012