# Verbose Mode: 1 # version: MacSPARTAN '06 129 129 x86/Darwin # rootKeys: 'OPT' 'HF' '3-21G(*)' '' '' # new Keys: 'OPT HF 3-21G(*) FREQ ' # old Keys: '' # new Prop: '' # old Prop: '' # hessian : '' (0) # wavefn : '' (0) # IRS : 0 # product#: 0x8000 (0,0,0) # HF ver. : 5 [SQ] # Graphic : 1 # graphinf: '' # Atoms : 12 (6,6,0,0) 78.1 # Avail RAM: 416.00 Mb # Method : HF (3) # ..Local?: 0 0 # ..Dense?: 0 0 RunInitializeJob OPT HF 3-21G(*) FREQ EndStep CopyArchiveToPreviousArchive RunMechanics MMFF94 EXTEND NO_PROPARC NO_NEG_HESS POSTSOLVENT=NONE FREQ SECOND PRINTLEV=0 EndStep MarkArchiveIncomplete (B) CopyArchiveToPreviousArchive RunQChem OPT HF 3-21G(*) FREQ EndStep MergePreviousArchiveIntoArchive CopyArchiveToPreviousArchive RunSemiempirical AM1 ONLYPROPIN EndStep RunProperty OPT HF 3-21G(*) FREQ EndStep # Molecule Mode: 'Pending' [3]