MacSPARTAN '06 MECHANICS PROGRAM: x86/Darwin 129c Frequency Calculation Adjusted 3 (out of 36) low frequency modes Reason for exit: Successful completion Mechanics CPU Time : .02 Mechanics Wall Time: .11 MacSPARTAN '06 Quantum Mechanics Program: (x86/Darwin) build 129cv3 Job type: Geometry optimization. Method: RHF Basis set: 3-21G(*) Number of shells: 30 Number of basis functions: 66 SCF model: A restricted Hartree-Fock SCF calculation will be performed using Pulay DIIS + Geometric Direct Minimization Optimization: Step Energy Max Grad. Max Dist. 1 -229.4193760 0.007204 0.019344 2 -229.4194397 0.002447 0.004713 3 -229.4194452 0.000402 0.001016 4 -229.4194454 0.000060 0.000148 Program Wall Time: 0:00:02.0 Job type: Frequency calculation. Method: RHF Basis set: 3-21G(*) Program Wall Time: 0:00:13.0 Reason for exit: Successful completion Quantum Calculation CPU Time : 0:00:12.6 Quantum Calculation Wall Time: 0:00:16.4 MacSPARTAN '06 Semi-Empirical Program: (x86/Darwin) build 129c Semi-empirical Property Calculation M0001 Guess from Archive Energy Due to Solvation Solvation Energy SM5.4/A -2.937 Memory Used: 358.66 Kb Reason for exit: Successful completion Semi-Empirical Program CPU Time : .01 Semi-Empirical Program Wall Time: .02 SPARTAN PROPERTIES PACKAGE: MAC/P4 build 129c Temperature Corrections for 298.15 K Reason for exit: Successful completion Properties CPU Time : .19 Properties Wall Time: .23 molecule M0001 terminated normally End- molecule "M0001" Wed Nov 7 15:40:12 2007