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: 23
Number of basis functions: 75
Charge :     -1 
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    -3074.066909       0.011736       0.110392   1
            2    -3074.066199       0.004562       0.086070   1
            3    -3074.065902       0.002014       0.008938   1
            4    -3074.065917       0.000329       0.003736   1
            5    -3074.065918       0.000100       0.001283   1

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

  Reason for exit: Successful completion 
  Quantum Calculation CPU Time :        47.86
  Quantum Calculation Wall Time:        53.35



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       -240.157
  Memory Used:         100.88 Kb
   

  Reason for exit: Successful completion 
  Semi-Empirical Program CPU Time :          .01
  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 :          .12
  Properties Wall Time:          .22