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4879 Cyclopentadienyl molybdenum nitrosyl dicarbonyl

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  #           Species Formula
  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
  4879 Cyclopentadienyl molybdenum nitrosyl dicarbonyl C7H5NO3Mo
  4880 Cyclopentadienyl molybdenum nitrosyl dicarbonyl (Geo)C7H5NO3Mo
  4881 Mo(II)C5ON2 (ACPSMO) (Geo)C23H20N2O3Mo
  4882 Mo(VI)O4(2-) (CHAMMO) (Geo)O4Mo
  4883 Mo(VI)O4(2-) (CHAMMO)O4Mo
  4884 Molybdic acid (H2MoO4)H2O4Mo
  4885 Mo(VI)O5 (BOWRUA) (Geo)C4H8O5Mo
  4886 Mo(VI)O5 (BOWRUA)C4H8O5Mo
  4887 Mo(II)(H2O)6H12O6Mo
  4888 Mo(II)(H2O)6 (Geo)H12O6Mo
  4889 Molybdenum hexacarbonyl (Geo)C6O6Mo



DHf: -67.4 kcal/mol,     REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.

  
 SHIFT=80 PULAY
Cyclopentadienyl molybdenum nitrosyl dicarbonyl
 H=-67.4 HR=PW91D
 Mo         0.00000000 +0    0.0000000 +0    0.0000000 +0                      0.0000
  C         2.51980717 +1    0.0000000 +0    0.0000000 +0    1    0    0       0.0000
  C         1.42035617 +1   76.1554325 +1    0.0000000 +0    2    1    0       0.0000
  C         1.44279728 +1  108.1961922 +1   65.2662805 +1    3    2    1       0.0000
  C         1.42060464 +1  108.1641210 +1    0.0498995 +1    4    3    2       0.0000
  C         1.44701317 +1   70.1370684 +1  115.4472889 +1    2    1    3       0.0000
  H         1.08037987 +1  124.8709998 +1  119.6591570 +1    2    1    6       0.0000
  H         1.07980495 +1  126.3663597 +1  173.8001240 +1    3    2    4       0.0000
  H         1.07955394 +1  125.1401985 +1  174.0199036 +1    4    3    5       0.0000
  H         1.08047713 +1  126.2191533 +1  171.4792572 +1    5    4    3       0.0000
  H         1.07826779 +1  125.3479787 +1  125.0535302 +1    6    2    1       0.0000
  C         2.05747411 +1  131.6279405 +1 -130.6034178 +1    1    2    3       0.0000
  C         2.05725659 +1   91.3213717 +1  -87.0199747 +1    1    2   12       0.0000
  N         1.78912328 +1  138.2715650 +1  -91.7805502 +1    1    2   13       0.0000
  O         1.15767787 +1  153.7465601 +1  179.6633383 +1   12    2    1       0.0000
  O         1.15765834 +1  130.5383121 +1  179.8085855 +1   13    2    1       0.0000
  O         1.21801282 +1  156.5378190 +1 -177.5982705 +1   14    2    1       0.0000