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

mo(iii)(ox)3   4832 Mo(III)(Ox)3

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    #  Species Formula
  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 hexacarbonylC6O6Mo
  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)3 C6O12Mo
  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
  4838 Molybdenum(VI) difluoride dioxideO2F2Mo
  4839 Molybdenum(VI) dioxide difluorideO2F2Mo
  4840 Molybdenum dioxide difluoride (Geo)O2F2Mo
  4841 Molybdenum(III) trifluorideF3Mo
  4842 Molybdenum(IV) tetrafluorideF4Mo


ΔHf: -483.1 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.
  
 CHARGE=-3 UHF QUARTET PM7
Mo(III)(Ox)3
 H=-483.1 HR=PW91D
 Mo     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.13302993 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.10329439 +1   73.2325803 +1    0.0000000 +0     1     2     0
  O     1.95507461 +1  144.8401892 +1  -32.7642116 +1     1     2     3
  O     1.95623117 +1  117.1787693 +1 -101.5689399 +1     1     2     4
  O     2.10494943 +1   77.9241765 +1  157.6718929 +1     1     2     3
  O     2.13224922 +1   73.2917922 +1  -75.8435935 +1     1     2     6
  C     1.28479142 +1  120.5883017 +1    4.6317884 +1     2     1     3
  C     1.28493530 +1  121.9631279 +1   -1.7341664 +1     3     1     2
  C     1.37132548 +1  123.4250645 +1 -115.0873718 +1     4     1     2
  C     1.37096495 +1  123.3800622 +1 -116.5287176 +1     5     1     7
  C     1.28473233 +1  121.9388063 +1  -78.0317642 +1     6     1     2
  C     1.28478502 +1  120.6523048 +1   87.0231292 +1     7     1     2
  O     1.22051737 +1  124.9968971 +1 -179.3288925 +1    12     6     1
  O     1.22103940 +1  124.8535807 +1  172.3509174 +1    13     7     1
  O     1.23233383 +1  120.3316167 +1 -175.5185882 +1    10     4     1
  O     1.23220294 +1  120.3573127 +1 -175.1686482 +1    11     5     1
  O     1.22114911 +1  124.8667791 +1  172.5115554 +1     8     2     1
  O     1.22037936 +1  124.9962700 +1 -179.6740476 +1     9     3     1