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

molybdenum(vi) difluoride dioxide   4838 Molybdenum(VI) difluoride dioxide

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    #  Species Formula
  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
  4838 Molybdenum(VI) difluoride dioxide O2F2Mo
  4839 Molybdenum(VI) dioxide difluorideO2F2Mo
  4840 Molybdenum dioxide difluoride (Geo)O2F2Mo
  4841 Molybdenum(III) trifluorideF3Mo
  4842 Molybdenum(IV) tetrafluorideF4Mo
  4843 Molybdenum(III) tetrafluoride 2EF4Mo
  4844 Molybdenum(VI) oxide tetrafluorideOF4Mo
  4845 Molybdenum oxide tetrafluoride (Geo)OF4Mo
  4846 Molybdenum(V) pentafluorideF5Mo
  4847 Mo(VI)F6 d0 (Geo)F6Mo
  4848 Molybdenum(VI) hexafluoride (Geo)F6Mo


Dipole: 0.4 Debye,     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.
I.P.: 8.7 eV,     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
Molybdenum(VI) difluoride dioxide
 I=8.68 IR=PW91D D=0.44 DR=PW91D
 Mo     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  F     1.86613478 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.69652869 +1  103.0182434 +1    0.0000000 +0     1     2     0
  O     1.69648967 +1  102.1211363 +1  102.8123734 +1     1     2     3
  F     1.86608987 +1  140.5390021 +1  126.8881368 +1     1     2     4