Accuracy

molybdenum(iii) tetrafluoride 2e   4841 Molybdenum(III) tetrafluoride 2E

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    #  Species Formula
  4831 Mo(III)(Ox)3 (Geo)C6O12Mo
  4832 Molybdenum(I) fluoride (Geo)FMo
  4833 Mo(VI)O5FN(-) (AFXPCM) (Geo)C7H3NO7FMo
  4834 Mo(VI)O5FN(-) (AFXPCM)C7H3NO7FMo
  4835 Molybdenum(II) difluorideF2Mo
  4836 Molybdenum(VI) difluoride dioxideO2F2Mo
  4837 Molybdenum(VI) dioxide difluorideO2F2Mo
  4838 Molybdenum dioxide difluoride (Geo)O2F2Mo
  4839 Molybdenum(III) trifluorideF3Mo
  4840 Molybdenum(IV) tetrafluorideF4Mo
  4841 Molybdenum(III) tetrafluoride 2E F4Mo
  4842 Molybdenum(VI) oxide tetrafluorideOF4Mo
  4843 Molybdenum oxide tetrafluoride (Geo)OF4Mo
  4844 Molybdenum(V) pentafluorideF5Mo
  4845 Mo(VI)F6 d0 (Geo)F6Mo
  4846 Molybdenum(VI) hexafluoride (Geo)F6Mo
  4847 Molybdenum(VI) hexafluorideF6Mo
  4848 Molybdenum(V) sulfide trifluorideF3SMo
  4849 Molybdenum(VI) sulfide tetrafluorideF4SMo
  4850 Bicyclopentadienyl dithioisopropyl molybdenumC16H24S2Mo
  4851 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
 
   2  1    3    4    5