MacSPARTAN '08 MECHANICS PROGRAM: x86/Darwin       131


 Frequency Calculation

  Adjusted 6 (out of 51) low frequency modes

  Reason for exit: Successful completion 
  Mechanics CPU Time :          .07
  Mechanics Wall Time:         4.80

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

Job type: Geometry optimization.
Method: RHF
Basis set: 3-21G(*)
Number of shells: 51
Number of basis functions: 141
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    -4516.994586       0.021208       0.206178
            2    -4516.998032       0.015620       0.107598
            3    -4516.997696       0.020670       0.121714
            4    -4516.998928       0.010486       0.105264
            5    -4516.996163       0.057936       0.062240
            6    -4516.999436       0.003188       0.079073
            7    -4516.999516       0.003159       0.150128
            8    -4516.999390       0.004039       0.094536
            9    -4516.999570       0.000920       0.028648
           10    -4516.999569       0.001972       0.019996
           11    -4516.999587       0.000861       0.012947
           12    -4516.999589       0.000333       0.013281
           13    -4516.999591       0.000295       0.021075
           14    -4516.999592       0.000308       0.009578
           15    -4516.999593       0.000098       0.012433

  Reason for exit: Successful completion 
  Quantum Calculation CPU Time :      4:51.13
  Quantum Calculation Wall Time:      5:24.66


SPARTAN PROPERTIES PACKAGE: MAC/P4             build 131    
   
   

  Reason for exit: Successful completion 
  Properties CPU Time :          .37
  Properties Wall Time:         5.13

molecule M0001 terminated normally



End-   molecule "M0001" Tue Jun 25 15:23:25 2013