MacSPARTAN '14 Semi-Empirical Program:  (x86/Darwin)       build  14.119       

  M0001                                                                      

  Estimating Force Constant matrix by central-differences

   Calculating Hessian
  Memory Used:         435.30 Kb
   

  Reason for exit: Successful completion 
  Semi-Empirical Program CPU Time :          .10
  Semi-Empirical Program Wall Time:         1.33


MacSPARTAN '14 Quantum Mechanics Program:  (x86/Darwin)    build  14.119

Job type: Transition state search.
Method: RHF
Basis set: 3-21G(*)
Number of shells: 24
Number of basis functions: 60
Charge :     -1 
Multiplicity: 1
Parallel Job: 4 threads

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     -293.438618       0.000149       0.004717   2
            2     -293.438615       0.000578       0.005031   1
            3     -293.438618       0.000060       0.000333   1

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

  Reason for exit: Successful completion 
  Quantum Calculation CPU Time :         4.79
  Quantum Calculation Wall Time:         9.38



MacSPARTAN '14 Semi-Empirical Program:  (x86/Darwin)       build  14.119       
    Semi-empirical Property Calculation 

  M0001                                                                      

  Guess from Archive
    
  Energy Due to Solvation
   Solvation Energy SM5.4/A       -602.219
  Memory Used:         264.59 Kb
   

  Reason for exit: Successful completion 
  Semi-Empirical Program CPU Time :          .03
  Semi-Empirical Program Wall Time:          .23



MacSPARTAN '14 Properties Program:  (x86/Darwin)                 build  14.119 
   
   

  Temperature Corrections for   298.15 K 


  Reason for exit: Successful completion 
  Properties CPU Time :          .08
  Properties Wall Time:         1.28