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4907 Molybdenum(III) tetrafluoride 2E

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  #           Species Formula
  4897 Molybdenum(I) fluoride (Geo)FMo
  4898 Molybdenum(I) fluorideFMo
  4899 Mo(VI)O5FN(-) (AFXPCM) (Geo)C7H3NO7FMo
  4900 Mo(VI)O5FN(-) (AFXPCM)C7H3NO7FMo
  4901 Molybdenum(II) difluorideF2Mo
  4902 Molybdenum(VI) difluoride dioxideO2F2Mo
  4903 Molybdenum(VI) dioxide difluorideO2F2Mo
  4904 Molybdenum dioxide difluoride (Geo)O2F2Mo
  4905 Molybdenum(III) trifluorideF3Mo
  4906 Molybdenum(IV) tetrafluorideF4Mo
  4907 Molybdenum(III) tetrafluoride 2E F4Mo
  4908 Molybdenum(VI) oxide tetrafluorideOF4Mo
  4909 Molybdenum oxide tetrafluoride (Geo)OF4Mo
  4910 Molybdenum(V) pentafluorideF5Mo
  4911 d0 [Mo(VI)F6] 1A1gF6Mo
  4912 Mo(VI)F6 d0 (Geo)F6Mo
  4913 Molybdenum(VI) hexafluoride (Geo)F6Mo
  4914 Molybdenum(VI) hexafluorideF6Mo
  4915 Molybdenum(V) sulfide trifluorideF3SMo
  4916 Molybdenum(VI) sulfide tetrafluorideF4SMo
  4917 Bicyclopentadienyl dithioisopropyl molybdenumC16H24S2Mo



For electronic state 1,2,E
DHf: 0.0 kcal/mol,     REF: Presumed ground state.

  
 SHIFT=80 SYMMETRY OPEN(3,9) MECI ALLVECS CHARGE=-1
Molybdenum(III) tetrafluoride 2E
 ROOT=1,2,E H=0 HR=GS
  F         0.00000000 +0    0.0000000 +0    0.0000000 +0                      0.0000
 Mo         1.86180186 +1    0.0000000 +0    0.0000000 +0    1    0    0       0.0000
  F         1.86180186 +1  109.4712210 +1    0.0000000 +0    2    1    0       0.0000
  F         1.86180186 +1  109.4712210 +1  120.0000000 +1    2    1    3       0.0000
  F         1.86180186 +1  109.4712210 +1 -120.0000000 +1    2    1    3       0.0000