Accuracy

Mo(VI)O5 (BOWRUA)   4821 Mo(VI)O5 (BOWRUA)

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    #  Species Formula
  4811 Mo(VI)C4O2 (ACESIK) (Geo)C6H18O2Mo
  4812 Mo(VI)C4O2 (ACESIK)C6H18O2Mo
  4813 Molybdenum(VI) oxideO3Mo
  4814 Cyclopentadienyl molybdenum nitrosyl dicarbonylC7H5NO3Mo
  4815 Cyclopentadienyl molybdenum nitrosyl dicarbonyl (Geo)C7H5NO3Mo
  4816 Mo(II)C5ON2 (ACPSMO) (Geo)C23H20N2O3Mo
  4817 Mo(VI)O4(2-) (CHAMMO) (Geo)O4Mo
  4818 Mo(VI)O4(2-) (CHAMMO)O4Mo
  4819 Molybdic acid (H2MoO4)H2O4Mo
  4820 Mo(VI)O5 (BOWRUA) (Geo)C4H8O5Mo
  4821 Mo(VI)O5 (BOWRUA) C4H8O5Mo
  4822 Mo(II)(H2O)6H12O6Mo
  4823 Mo(II)(H2O)6 (Geo)H12O6Mo
  4824 Molybdenum hexacarbonyl (Geo)C6O6Mo
  4825 Molybdenum hexacarbonylC6O6Mo
  4826 Molybdenum dioxide di(acetylacetonate)C10H14O6Mo
  4827 Mo(acac)3C15H21O6Mo
  4828 Mo(III)O6 (ACACMO) (Geo)C15H21O6Mo
  4829 Mo(III)O6 (ACACMO)C15H21O6Mo
  4830 Mo(III)(Ox)3C6O12Mo
  4831 Mo(III)(Ox)3 (Geo)C6O12Mo


ΔHf: -228.4 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.
  
 PM7
Mo(VI)O5 (BOWRUA)
 H=-228.4 HR=PW91D
 Mo     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.70552251 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.71424071 +1  101.2821709 +1    0.0000000 +0     1     2     0
  O     1.91297835 +1  104.7294914 +1 -106.1681616 +1     1     2     3
  O     2.44813121 +1  149.3327379 +1  -74.4331762 +1     1     2     4
  C     1.38238120 +1  130.4120943 +1 -160.0560002 +1     4     1     2
  C     1.43083767 +1  106.3816293 +1  118.4471975 +1     5     1     2
  H     1.10894266 +1  106.7793845 +1 -132.3215058 +1     6     4     1
  H     1.10841781 +1  106.6944707 +1 -118.0866482 +1     6     4     8
  H     1.10299342 +1  110.6520123 +1   73.1936999 +1     7     5     1
  H     1.10123001 +1  108.1323651 +1  120.8588330 +1     7     5    10
  O     1.91214327 +1  104.2174658 +1  -73.3953435 +1     1     2     5
  C     1.43091850 +1  106.1170317 +1  123.3932563 +1     5     1     7
  C     1.55098849 +1  102.9020653 +1   46.8784618 +1    13     5     1
  H     1.10310888 +1  110.5804934 +1 -119.7214316 +1    13     5    14
  H     1.10114851 +1  108.1676950 +1 -120.8411085 +1    13     5    15
  H     1.10890240 +1  111.1767623 +1 -158.1497908 +1    14    13     5
  H     1.10837984 +1  111.6429097 +1 -123.8680682 +1    14    13    17