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: 52
Number of basis functions: 151
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     -475.480138       0.000306       0.010007   1
            2     -475.480137       0.000187       0.003064   1
            3     -475.480137       0.000145       0.004764   1

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

  Reason for exit: Successful completion 
  Quantum Calculation CPU Time :      4:07.61
  Quantum Calculation Wall Time:      4:28.97



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       -270.410
  Memory Used:         807.12 Kb
   

  Reason for exit: Successful completion 
  Semi-Empirical Program CPU Time :          .02
  Semi-Empirical Program Wall Time:         1.13



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

  Temperature Corrections for   298.15 K 


  Reason for exit: Successful completion 
  Properties CPU Time :          .28
  Properties Wall Time:          .38