MacSPARTAN '06 MECHANICS PROGRAM: x86/Darwin       129c


 Frequency Calculation

  Adjusted 3 (out of 36) low frequency modes

  Reason for exit: Successful completion
  Mechanics CPU Time :          .02
  Mechanics Wall Time:          .11

MacSPARTAN '06 Quantum Mechanics Program:  (x86/Darwin)    build  129cv3

Job type: Geometry optimization.
Method: RHF
Basis set: 3-21G(*)
Number of shells: 30
Number of basis functions: 66

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      -229.4193760       0.007204       0.019344
          2      -229.4194397       0.002447       0.004713
          3      -229.4194452       0.000402       0.001016
          4      -229.4194454       0.000060       0.000148

  Program Wall Time:    0:00:02.0

<step 2>
Job type: Frequency calculation.
Method: RHF
Basis set: 3-21G(*)

  Program Wall Time:    0:00:13.0

  Reason for exit: Successful completion
  Quantum Calculation CPU Time :   0:00:12.6
  Quantum Calculation Wall Time:   0:00:16.4


MacSPARTAN '06 Semi-Empirical Program:  (x86/Darwin)         build  129c       
    Semi-empirical Property Calculation 

  M0001                                                                      

  Guess from Archive
    
  Energy Due to Solvation
   Solvation Energy SM5.4/A         -2.937
  Memory Used:         358.66 Kb
  Reason for exit: Successful completion
  Semi-Empirical Program CPU Time :          .01
  Semi-Empirical Program Wall Time:          .02


SPARTAN PROPERTIES PACKAGE: MAC/P4            build 129c                       
   
   

  Temperature Corrections for   298.15 K 


  Reason for exit: Successful completion
  Properties CPU Time :          .19
  Properties Wall Time:          .23

molecule M0001 terminated normally



End-   molecule "M0001" Wed Nov  7 15:40:12 2007
