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

Job type: Reading previous wavefunction

Job type: Transition state search.
Method: RB3LYP
Basis set: 6-31G(D)
Number of shells: 32
Number of basis functions: 92
Multiplicity: 1

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    -2708.381653       0.020300       0.049395   1
            2    -2708.382948       0.003502       0.015589   1
            3    -2708.382978       0.000170       0.002190   1
            4    -2708.382978       0.000020       0.000172   1

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

  Reason for exit: Successful completion 
  Quantum Calculation CPU Time :      1:47.46
  Quantum Calculation Wall Time:      1:56.14



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       -168.546
  Memory Used:         207.69 Kb
   

  Reason for exit: Successful completion 
  Semi-Empirical Program CPU Time :          .02
  Semi-Empirical Program Wall Time:          .12



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

  Temperature Corrections for   298.15 K 


  Reason for exit: Successful completion 
  Properties CPU Time :          .19
  Properties Wall Time:          .30