MacSPARTAN '08 MECHANICS PROGRAM: x86/Darwin       132


 Frequency Calculation


  Reason for exit: Successful completion 
  Mechanics CPU Time :          .05
  Mechanics Wall Time:         4.73

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

Job type: Geometry optimization.
Method: RHF
Basis set: 3-21G(*)
Number of shells: 11
Number of basis functions: 17
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      -39.976414       0.018487       0.061251
            2      -39.976851       0.004589       0.012180
            3      -39.976878       0.000168       0.000430

  Reason for exit: Successful completion 
  Quantum Calculation CPU Time :          .23
  Quantum Calculation Wall Time:        10.08


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          8.767
  Memory Used:          46.62 Kb
  Reason for exit: Successful completion
  Semi-Empirical Program CPU Time :          .01
  Semi-Empirical Program Wall Time:         4.77


SPARTAN PROPERTIES PACKAGE: MAC/P4             build 132    
   
   

  Reason for exit: Successful completion 
  Properties CPU Time :          .08
  Properties Wall Time:         4.85

molecule M0001 terminated normally



End-   molecule "M0001" Tue Jun 25 15:30:24 2013