PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

molybdenum(iii) tetrafluoride 2e   4843 Molybdenum(III) tetrafluoride 2E

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    #  Species Formula
  4833 Mo(III)(Ox)3 (Geo)C6O12Mo
  4834 Molybdenum(I) fluoride (Geo)FMo
  4835 Mo(VI)O5FN(-) (AFXPCM) (Geo)C7H3NO7FMo
  4836 Mo(VI)O5FN(-) (AFXPCM)C7H3NO7FMo
  4837 Molybdenum(II) difluorideF2Mo
  4838 Molybdenum(VI) difluoride dioxideO2F2Mo
  4839 Molybdenum(VI) dioxide difluorideO2F2Mo
  4840 Molybdenum dioxide difluoride (Geo)O2F2Mo
  4841 Molybdenum(III) trifluorideF3Mo
  4842 Molybdenum(IV) tetrafluorideF4Mo
  4843 Molybdenum(III) tetrafluoride 2E F4Mo
  4844 Molybdenum(VI) oxide tetrafluorideOF4Mo
  4845 Molybdenum oxide tetrafluoride (Geo)OF4Mo
  4846 Molybdenum(V) pentafluorideF5Mo
  4847 Mo(VI)F6 d0 (Geo)F6Mo
  4848 Molybdenum(VI) hexafluoride (Geo)F6Mo
  4849 Molybdenum(VI) hexafluorideF6Mo
  4850 Molybdenum(V) sulfide trifluorideF3SMo
  4851 Molybdenum(VI) sulfide tetrafluorideF4SMo
  4852 Bicyclopentadienyl dithioisopropyl molybdenumC16H24S2Mo
  4853 Bicyclopentadienyl dithiopropyl molybdenumC16H24S2Mo


For electronic state 1,2,E
ΔHf: 0.0 kcal/mol,     REF: Presumed ground state.
  
 SHIFT=80 SYMMETRY OPEN(3,9) MECI ALLVECS CHARGE=-1 PM7
Molybdenum(III) tetrafluoride 2E
 ROOT=1,2,E H=0 HR=GS
  F     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Mo     1.94030621 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.94030621 +1  109.4712210 +1    0.0000000 +0     2     1     0
  F     1.94030621 +1  109.4712210 +1  120.0000000 +1     2     1     3
  F     1.94030621 +1  109.4712210 +1 -120.0000000 +1     2     1     3