MacSPARTAN '06 CONFORMATION SEARCH: x86/Darwin 129c Conformation Search Reason for exit: Successful completion Mechanics CPU Time : .07 Mechanics Wall Time: .10 MacSPARTAN '06 Quantum Mechanics Program: (x86/Darwin) build 129cv3 Job type: Geometry optimization. Method: RB3LYP Basis set: 6-31G(D) Number of shells: 88 Number of basis functions: 253 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 -580.0157418 0.007887 0.135070 2 -580.0175900 0.002556 0.132725 3 -580.0183775 0.001045 0.003240 4 -580.0183870 0.001024 0.003240 5 -580.0183967 0.000998 0.003240 6 -580.0184068 0.000969 0.003240 7 -580.0184160 0.000942 0.003240 8 -580.0184250 0.000916 0.003240 9 -580.0184334 0.000891 0.003240 10 -580.0184422 0.000861 0.107195 11 -580.0185873 0.000102 0.004257 12 -580.0185882 0.000080 0.003102 Program Wall Time: 0:34:39.0 Reason for exit: Successful completion Quantum Calculation CPU Time : 0:29:25.6 Quantum Calculation Wall Time: 0:34:39.0 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 -5.089 Memory Used: 2.668 Mb Reason for exit: Successful completion Semi-Empirical Program CPU Time : .07 Semi-Empirical Program Wall Time: .10 SPARTAN PROPERTIES PACKAGE: MAC/P4 build 129c Reason for exit: Successful completion Properties CPU Time : 1.75 Properties Wall Time: 1.76 molecule M0001 terminated normally End- molecule "M0001" Tue Feb 19 16:15:05 2008