MacSPARTAN '08 MECHANICS PROGRAM: x86/Darwin       131


 Frequency Calculation

  Adjusted 3 (out of 9) low frequency modes

  Reason for exit: Successful completion 
  Mechanics CPU Time :          .08
  Mechanics Wall Time:         4.87

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

Job type: Geometry optimization.
Method: RHF
Basis set: 3-21G(*)
Number of shells: 7
Number of basis functions: 13
Multiplicity: 1

SCF model:
 A restricted Hartree-Fock SCF calculation will be
 performed using Pulay DIIS + Geometric Direct Minimization


Optimization:
         Step      Energy          Max Grad.      Max Dist. 
            1      -75.585527       0.018282       0.071806
            2      -75.585894       0.005237       0.020200
            3      -75.585960       0.000206       0.000525

  Reason for exit: Successful completion 
  Quantum Calculation CPU Time :          .20
  Quantum Calculation Wall Time:        10.07


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        -33.656
  Memory Used:          31.02 Kb
  Reason for exit: Successful completion
  Semi-Empirical Program CPU Time :          .03
  Semi-Empirical Program Wall Time:         4.79


SPARTAN PROPERTIES PACKAGE: MAC/P4             build 131    
   
   

  Reason for exit: Successful completion 
  Properties CPU Time :          .11
  Properties Wall Time:         4.83

molecule M0001 terminated normally



End-   molecule "M0001" Fri Jun 28 12:58:48 2013