MacSPARTAN '14 Semi-Empirical Program: (x86/Darwin) build 14.119 M0001 Estimating Force Constant matrix by central-differences Calculating Hessian Memory Used: 1.785 Mb Reason for exit: Successful completion Semi-Empirical Program CPU Time : 1.15 Semi-Empirical Program Wall Time: 2.27 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: 165 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 -351.670695 0.008034 0.078314 1 2 -351.672171 0.002616 0.041113 1 3 -351.672263 0.002202 0.041118 1 4 -351.672336 0.001148 0.012354 1 5 -351.672345 0.001027 0.014924 1 6 -351.672352 0.000805 0.014078 1 7 -351.672357 0.000465 0.016710 1 8 -351.672359 0.000289 0.002723 1 9 -351.672359 0.000060 0.001657 1 Job type: Frequency calculation. Method: RB3LYP Basis set: 6-31G(D) Reason for exit: Successful completion Quantum Calculation CPU Time : 9:44.51 Quantum Calculation Wall Time: 10:49.92 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 -192.262 Memory Used: 1.234 Mb Reason for exit: Successful completion Semi-Empirical Program CPU Time : .03 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 : .43 Properties Wall Time: .55