PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

molybdenum hexacarbonyl   4827 Molybdenum hexacarbonyl

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    #  Species Formula
  4817 Cyclopentadienyl molybdenum nitrosyl dicarbonyl (Geo)C7H5NO3Mo
  4818 Mo(II)C5ON2 (ACPSMO) (Geo)C23H20N2O3Mo
  4819 Mo(VI)O4(2-) (CHAMMO) (Geo)O4Mo
  4820 Mo(VI)O4(2-) (CHAMMO)O4Mo
  4821 Molybdic acid (H2MoO4)H2O4Mo
  4822 Mo(VI)O5 (BOWRUA) (Geo)C4H8O5Mo
  4823 Mo(VI)O5 (BOWRUA)C4H8O5Mo
  4824 Mo(II)(H2O)6H12O6Mo
  4825 Mo(II)(H2O)6 (Geo)H12O6Mo
  4826 Molybdenum hexacarbonyl (Geo)C6O6Mo
  4827 Molybdenum hexacarbonyl C6O6Mo
  4828 Molybdenum dioxide di(acetylacetonate)C10H14O6Mo
  4829 Mo(acac)3C15H21O6Mo
  4830 Mo(III)O6 (ACACMO) (Geo)C15H21O6Mo
  4831 Mo(III)O6 (ACACMO)C15H21O6Mo
  4832 Mo(III)(Ox)3C6O12Mo
  4833 Mo(III)(Ox)3 (Geo)C6O12Mo
  4834 Molybdenum(I) fluoride (Geo)FMo
  4835 Mo(VI)O5FN(-) (AFXPCM) (Geo)C7H3NO7FMo
  4836 Mo(VI)O5FN(-) (AFXPCM)C7H3NO7FMo
  4837 Molybdenum(II) difluorideF2Mo


ΔHf: -218.8 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.
  
 SYMMETRY PULAY PM7
Molybdenum hexacarbonyl
 H=-218.8 HR=NIST
 Mo     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.07198877 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.07198877 +0   90.0000000 +0    0.0000000 +0     1     2     0
  C     2.07198877 +0   90.0000000 +0  180.0000000 +0     1     2     3
  C     2.07198877 +0  180.0000000 +0    0.0000000 +0     1     2     3
  C     2.07198877 +0   90.0000000 +0   90.0000000 +0     1     2     3
  C     2.07198877 +0   90.0000000 +0  -90.0000000 +0     1     2     3
  O     1.15768869 +1  180.0000000 +0    0.0000000 +0     2     1     3
  O     1.15768869 +0  180.0000000 +0    0.0000000 +0     4     1     2
  O     1.15768869 +0  180.0000000 +0    0.0000000 +0     5     1     3
  O     1.15768869 +0  180.0000000 +0    0.0000000 +0     6     1     3
  O     1.15768869 +0  180.0000000 +0    0.0000000 +0     7     1     3
  O     1.15768869 +0  180.0000000 +0    0.0000000 +0     3     1     2