MacSPARTAN '08 MECHANICS PROGRAM: x86/Darwin 132 Frequency Calculation Adjusted 3 (out of 24) low frequency modes Reason for exit: Successful completion Mechanics CPU Time : .05 Mechanics Wall Time: .39 MacSPARTAN '08 Quantum Mechanics Program: (x86/Darwin) build 132v4 Job type: Geometry optimization. Method: RHF Basis set: 3-21G(*) Number of shells: 32 Number of basis functions: 112 Multiplicity: 1 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 -2881.804528 0.157018 0.354588 2 -2881.874423 0.083412 0.355361 3 -2881.849590 0.135654 0.257064 4 -2881.875007 0.114502 0.235393 5 -2881.895487 0.077694 0.275816 6 -2881.870894 0.237567 0.192471 7 -2881.915023 0.048530 0.302448 8 -2881.886324 0.097780 0.245633 9 -2881.919524 0.046939 0.343355 10 -2881.852775 0.348498 0.227660 11 -2881.926492 0.019616 0.244897 12 -2881.927591 0.045521 0.170380 13 -2881.927950 0.045971 0.191876 14 -2881.932928 0.021111 0.104222 15 -2881.935397 0.013229 0.064463 16 -2881.936056 0.007966 0.073092 17 -2881.935669 0.019864 0.043278 18 -2881.936398 0.002228 0.038157 19 -2881.936423 0.002005 0.015614 20 -2881.936454 0.001238 0.006507 21 -2881.936456 0.000297 0.004346 22 -2881.936457 0.000122 0.000501 Reason for exit: Successful completion Quantum Calculation CPU Time : 3:00.64 Quantum Calculation Wall Time: 3:19.48 SPARTAN PROPERTIES PACKAGE: MAC/P4 build 132 Reason for exit: Successful completion Properties CPU Time : .18 Properties Wall Time: .63 molecule M0001 terminated normally End- molecule "M0001" Thu Jun 27 11:22:21 2013