MacSPARTAN '14 Semi-Empirical Program: (x86/Darwin) build 14.119 M0001 Estimating Force Constant matrix by central-differences Calculating Hessian Memory Used: 1.310 Mb Reason for exit: Successful completion Semi-Empirical Program CPU Time : .87 Semi-Empirical Program Wall Time: 1.98 MacSPARTAN '14 Quantum Mechanics Program: (x86/Darwin) build 14.119 Job type: Transition state search. Method: UHF Basis set: 3-21G(*) Number of shells: 47 Number of basis functions: 89 Multiplicity: 2 SCF model: An unrestricted Hartree-Fock SCF calculation will be performed using Pulay DIIS + Geometric Direct Minimization Optimization: Step Energy Max Grad. Max Dist. 1 -271.049408 0.004709 0.099444 2 2 -271.049335 0.004691 0.079514 2 3 -271.049234 0.004251 0.077066 1 4 -271.049034 0.002792 0.031073 2 5 -271.049028 0.002173 0.029189 1 6 -271.049038 0.001825 0.027987 1 7 -271.049033 0.001089 0.009687 2 8 -271.049033 0.001181 0.011644 1 9 -271.049030 0.000524 0.010886 1 10 -271.049030 0.000281 0.009980 2 11 -271.049030 0.000252 0.009834 1 Job type: Frequency calculation. Method: UHF Basis set: 3-21G(*) Reason for exit: Successful completion Quantum Calculation CPU Time : 50.67 Quantum Calculation Wall Time: 54.57 MacSPARTAN '14 Semi-Empirical Program: (x86/Darwin) build 14.119 Semi-empirical Property Calculation M0001 Solvation implemented only for closed shell systems Energy Due to Solvation Memory Used: 896.71 Kb Reason for exit: Successful completion Semi-Empirical Program CPU Time : .01 Semi-Empirical Program Wall Time: .11 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