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4868 Molybdenum(III) tetracyanide 2E

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  #           Species Formula
  4858 Nb6Br12, dicationBr12Nb6
  4859 Molybdenum, dicationMo
  4860 Molybdenum, cationMo
  4861 Molybdenum, atomMo
  4862 Bicyclopentadienyl molybdenum dihydrideC10H12Mo
  4863 Bicyclopentadienyl molybdenum dihydride (Geo)C10H12Mo
  4864 Dibenzene molybdenumC12H12Mo
  4865 Bicyclopentadienyl ethylene molybdenumC12H14Mo
  4866 Bicyclopentadienyl dimethyl molybdenumC12H16Mo
  4867 Bicyclopentadienyl diethyl molybdenumC14H20Mo
  4868 Molybdenum(III) tetracyanide 2E C4N4Mo
  4869 Mo(II)(NH3)6H18N6Mo
  4870 Mo(II)(NH3)6 (Geo)H18N6Mo
  4871 Mo(III)(CN)6 4A2gC6N6Mo
  4872 Mo(VI)C5O (ACESEG) (Geo)C6H18OMo
  4873 Mo(VI)C5O (ACESEG)C6H18OMo
  4874 Molybdenum(IV) oxideO2Mo
  4875 Dimethyl molybdenium(VI) dioxide (Geo)C2H6O2Mo
  4876 Mo(VI)C4O2 (ACESIK) (Geo)C6H18O2Mo
  4877 Mo(VI)C4O2 (ACESIK)C6H18O2Mo
  4878 Molybdenum(VI) oxideO3Mo



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

  
 SHIFT=80 SYMMETRY OPEN(3,5) MECI ALLVECS CHARGE=-1
Molybdenum(III) tetracyanide 2E
 ROOT=1,2,E H=0 HR=GS
  C         0.00000000 +0    0.0000000 +0    0.0000000 +0                      0.0000
 Mo         2.12098916 +1    0.0000000 +0    0.0000000 +0    1    0    0       0.0000
  C         2.12098916 +0  109.4712210 +0    0.0000000 +0    2    1    0       0.0000
  C         2.12098916 +0  109.4712210 +0  120.0000000 +0    2    1    3       0.0000
  C         2.12098916 +0  109.4712210 +0 -120.0000000 +0    2    1    3       0.0000
  N         1.16355993 +1  180.0000000 +0    0.0000000 +0    1    2    3       0.0000
  N         1.16355993 +0  180.0000000 +0    0.0000000 +0    3    2    1       0.0000
  N         1.16355993 +0  180.0000000 +0    0.0000000 +0    4    2    3       0.0000
  N         1.16355993 +0  180.0000000 +0    0.0000000 +0    5    2    3       0.0000