ࡱ>  Root EntryHp$J`I% Moleculesp'I%`I%DocumentSheet p'I%p tI%  !"$%&'()*+,-./012@LabelM001M001P??# Verbose Mode: 1 # new Keys: 'OPT HF 3-21G(*) ' # old Keys: '' # new Prop: '' # old Prop: '' # Graphic : 1 # hessian : '' (0) # wavefn : '' (0) # IRS : 0 # product#: 5 # AvaTitlesLabelsCalculatorSheetDataM0001 Hp$Jp'I%`I%MoleculeRules  Commands Dil RAM: 156.48 Mb # Descriptor: OPT HF | PROP # Unix : run. ? mech semig ab semiP prop #BEGIN PCtalk RunInitializeJob OPT HF 3-21G(*) EndStep RunMechanics MMFF94 EXTEND NO_PROPARC NO_NEG_HESS FREQ SECOND PRINTLEV=0 EndStep MarkArchiveIncomplete CopyArchiveToPreviousArchive RunSemiempirical PM3 DFUNCTION GUESSONLY PRINTLEV=0 EndStep MergePreviousArchiveIntoArchive MarkArchiveIncomplete CopyArchiveToPreviousArchive RunAbinitio OPT HF 3-21G(*) AVAILRAM=20510256 EndStep RunSemiempirical AM1 ONLYPROPIN EndStep RunProperty OPT HF 3-21G(*) EndStep UpdateGraphics # Molecule Mode: 'Pending' [3] OPT HF 3-21G(*) M001 0 1 1 -0.000000000 0.000000074 -0.019769187 6 -0.000000000 0.000000057 1.066960815 6 0.000000000 0.000000016 3.856612646 6 0.000000000 -1.207954630 1.764373755 6 -0.000000000 1.207954724 1.764373790 6 -0.000000000 1.207954703 3.159199706 6 0.00000000Input Geometry#Calculations3!Graphics I/I%I/I%0 -1.207954650 3.159199670 1 0.000000000 -2.149090410 1.221008740 1 -0.000000000 2.149090521 1.221008803 1 -0.000000000 2.149090484 3.702564721 1 0.000000000 -2.149090447 3.702564657 1 0.000000000 0.000000000 4.943342648 ENDCART ATOMLABELS "H1" "C1" "C4" "C2" "C6" "C5" "C3" "H2" "H6" "H5" "H3" "H4" ENDATOMLABELS HESSIAN 13 3 3 3 3 3 3 13 13 13 13 13 1 2 1 2 5 5 5 6 5 3 6 5 3 7 5 4 7 5 2 4 5 6 10 1 7 11 1 3 12 1 4 8 1 5 9 1 ENDHESS BEGINPROPIN ENDPROPIN H Ph1H1<4_>1C1 <4,XрE?1C4 sʅ63uKQ> W@1C2 FS9:;S|_:?1C6  FSD7&US?:?1C5 FS\OS? ~ F @1C3 FS9hAS z F @1H2gUV19j#PV1Lu@?1H6ѿgUV1^V1@(@?1H5gUV1)uZV1@@ڞ @1H3ɿgUV19UV1P8ڞ @1H4:(@(6@nS=u@ Bond0 Bond1 Bond2 Bond3 Bond4 Bond5 Bond6 Bond7  Bond8  Bond9  Bond10 Bond11 /Cycle1!!!!!!!OPT HF 3-21G(*)