MacSPARTAN '06 CONFORMATION SEARCH: x86/Darwin 129c Conformation Search Reason for exit: Successful completion Mechanics CPU Time : .09 Mechanics Wall Time: .34 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 -580.0143900 0.017543 0.194133 2 -580.0169362 0.004068 0.171602 3 -580.0180698 0.002278 0.161679 4 -580.0189829 0.003062 0.151407 5 -580.0195616 0.003390 0.150843 6 -580.0198506 0.002822 0.154572 7 -580.0199656 0.002672 0.027314 8 -580.0200188 0.000642 0.003240 9 -580.0200218 0.000600 0.003240 10 -580.0200255 0.000493 0.025674 11 -580.0200344 0.000186 0.005932 12 -580.0200350 0.000081 0.002042 Program Wall Time: 0:35:09.0 Reason for exit: Successful completion Quantum Calculation CPU Time : 0:30:04.3 Quantum Calculation Wall Time: 0:35:11.2 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 -6.709 Memory Used: 2.668 Mb Reason for exit: Successful completion Semi-Empirical Program CPU Time : .08 Semi-Empirical Program Wall Time: .16 SPARTAN PROPERTIES PACKAGE: MAC/P4 build 129c Reason for exit: Successful completion Properties CPU Time : 1.74 Properties Wall Time: 1.86 molecule M0001 terminated normally End- molecule "M0001" Tue Feb 19 16:14:52 2008