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4865 Bicyclopentadienyl ethylene molybdenum

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  #           Species Formula
  4855 Nb6Cl12, dication (Geo)Cl12Nb6
  4856 Nb6Cl12, dicationCl12Nb6
  4857 Nb6Br12, dication (Geo)Br12Nb6
  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 molybdenum C12H14Mo
  4866 Bicyclopentadienyl dimethyl molybdenumC12H16Mo
  4867 Bicyclopentadienyl diethyl molybdenumC14H20Mo
  4868 Molybdenum(III) tetracyanide 2EC4N4Mo
  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



DHf: 87.2 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.

  
 TRIPLET RELSCF=10 UHF SHIFT=15
Bicyclopentadienyl ethylene molybdenum
 H=87.2 HR=NIST
 Mo         0.00000000 +0    0.0000000 +0    0.0000000 +0                      0.0000
  C         2.48595248 +1    0.0000000 +0    0.0000000 +0    1    0    0       0.0000
  C         1.41724341 +1   76.6686113 +1    0.0000000 +0    2    1    0       0.0000
  C         1.43226043 +1  109.5133790 +1   56.9806083 +1    3    2    1       0.0000
  C         1.46693816 +1  107.7263883 +1    3.1269805 +1    4    3    2       0.0000
  C         1.46463069 +1  107.0835898 +1   -2.8963644 +1    5    4    3       0.0000
  H         1.07908506 +1  128.4336708 +1 -126.2314328 +1    2    1    3       0.0000
  H         1.08371063 +1  125.3240492 +1 -124.4718907 +1    3    2    1       0.0000
  H         1.07795228 +1  126.0950030 +1  170.6206716 +1    4    3    2       0.0000
  H         1.07983404 +1  124.8890448 +1  160.9451366 +1    5    4    3       0.0000
  H         1.07968533 +1  125.6508676 +1  164.6412899 +1    6    5    4       0.0000
  C         2.41637955 +1  177.3491687 +1 -101.6432009 +1    1    2    3       0.0000
  C         1.43357778 +1   78.7685061 +1 -167.7733745 +1   12    1    5       0.0000
  C         1.41730059 +1  109.5543484 +1   58.7547772 +1   13   12    1       0.0000
  C         1.46059676 +1  108.3685813 +1    2.0939360 +1   14   13   12       0.0000
  C         1.46445656 +1  107.2386019 +1   -0.1376426 +1   15   14   13       0.0000
  H         1.07782698 +1  129.2878857 +1   64.4266886 +1   12    1    5       0.0000
  H         1.08377815 +1  125.1290833 +1 -122.5798498 +1   13   12    1       0.0000
  H         1.07906551 +1  126.4108671 +1  174.8159776 +1   14   13   12       0.0000
  H         1.07974850 +1  124.7905053 +1  163.1884009 +1   15   14   13       0.0000
  H         1.07973168 +1  125.8116707 +1  161.9309502 +1   16   15   14       0.0000
  C         3.06505175 +1   81.5818880 +1   78.7298183 +1    1    2    3       0.0000
  C         1.46015163 +1   42.8123264 +1 -113.8983353 +1   22    1    2       0.0000
  H         1.07217197 +1   79.6165544 +1   61.7018807 +1   22    1    2       0.0000
  H         1.07067236 +1  163.3896820 +1 -126.5399552 +1   22    1    2       0.0000
  H         1.10682788 +1  110.6620447 +1  123.2506998 +1   23   22    1       0.0000
  H         1.10626797 +1  111.1150590 +1 -123.9426629 +1   23   22    1       0.0000