MacSPARTAN '14 Semi-Empirical Program: (x86/Darwin) build 14.119 M0001 Estimating Force Constant matrix by central-differences Calculating Hessian Memory Used: 983.49 Kb Reason for exit: Successful completion Semi-Empirical Program CPU Time : .56 Semi-Empirical Program Wall Time: 1.68 MacSPARTAN '14 Quantum Mechanics Program: (x86/Darwin) build 14.119 Job type: Transition state search. Method: UHF Basis set: 3-21G(*) Number of shells: 40 Number of basis functions: 76 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 -232.231446 0.002260 0.031069 2 2 -232.231446 0.002253 0.021819 1 3 -232.231389 0.000633 0.010629 2 4 -232.231388 0.000796 0.009601 2 5 -232.231389 0.000748 0.015059 1 6 -232.231391 0.000269 0.009444 2 7 -232.231391 0.000169 0.002700 1 Job type: Frequency calculation. Method: UHF Basis set: 3-21G(*) Reason for exit: Successful completion Quantum Calculation CPU Time : 24.72 Quantum Calculation Wall Time: 27.55 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: 633.88 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 : .15 Properties Wall Time: 1.26