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 : .84 Semi-Empirical Program Wall Time: 1.95 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 -271.049051 0.005653 0.091740 2 2 -271.048971 0.005552 0.089741 1 3 -271.048736 0.002284 0.036601 2 4 -271.048739 0.002276 0.039292 1 5 -271.048737 0.001711 0.027417 1 6 -271.048716 0.000618 0.013673 1 7 -271.048718 0.000603 0.006658 1 8 -271.048715 0.000331 0.010226 2 9 -271.048713 0.000648 0.010812 1 10 -271.048715 0.000113 0.003098 2 11 -271.048715 0.000072 0.003700 1 Job type: Frequency calculation. Method: UHF Basis set: 3-21G(*) Reason for exit: Successful completion Quantum Calculation CPU Time : 50.19 Quantum Calculation Wall Time: 53.38 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: 1.29