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

Job type: Transition state search.
Method: RB3LYP
Basis set: 6-31G(D)
Number of shells: 66
Number of basis functions: 176
Charge :     +1 
Multiplicity: 1
Parallel Job: 4 threads

SCF model:
 A restricted hybrid HF-DFT SCF calculation will be
 performed using Pulay DIIS + Geometric Direct Minimization


Optimization:
         Step      Energy          Max Grad.      Max Dist. 
            1     -459.021397       0.000380       0.010143   1
            2     -459.021402       0.000188       0.003191   1
            3     -459.021403       0.000184       0.003710   1

<step 2>
Job type: Frequency calculation.
Method: RB3LYP
Basis set: 6-31G(D)

  Reason for exit: Successful completion 
  Quantum Calculation CPU Time :      7:59.73
  Quantum Calculation Wall Time:      8:42.35



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       -232.259
  Memory Used:          1.286 Mb
   

  Reason for exit: Successful completion 
  Semi-Empirical Program CPU Time :          .04
  Semi-Empirical Program Wall Time:          .14



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

  Temperature Corrections for   298.15 K 


  Reason for exit: Successful completion 
  Properties CPU Time :          .44
  Properties Wall Time:         1.54