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

vanadium(v) iodide dioxide   5907 Vanadium(V) iodide dioxide

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    #  Species Formula
  5897 Scandium NH2 CH3 I (Geo)CH5NScI
  5898 Scandium(III) oxide iodideOScI
  5899 Scandium(III) oxide iodide (Geo)OScI
  5900 TiITiI
  5901 Titanium(I) iodide (Geo)TiI
  5902 Titanium(I) iodideTiI
  5903 Ti(III)Cp2I (PEMKOH) (Geo)C18H26TiI
  5904 Ti(III)Cp2I (PEMKOH)C18H26TiI
  5905 Vanadium(I) iodideVI
  5906 Vanadium(I) iodide (Geo)VI
  5907 Vanadium(V) iodide dioxide O2VI
  5908 Vanadium(V) iodide dioxide (Geo)O2VI
  5909 Chromium(I) iodideCrI
  5910 Chromium(I) iodide (Geo)CrI
  5911 Manganese(I) iodideMnI
  5912 Manganese(I) iodide (Geo)MnI
  5913 Mn(CO)3N2I (YOMHEN) (Geo)C13H8N2O3MnI
  5914 Mn(CO)3N2I (YOMHEN)C13H8N2O3MnI
  5915 Mn(CO)5I (VUCFAA) (Geo)C5O5MnI
  5916 Mn(CO)5IC5O5MnI
  5917 Manganese IS (Geo)HSMnI


Dipole: 3.3 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.: 6.8 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.
  
 PULAY PM7
Vanadium(V) iodide dioxide
 I=6.85 IR=PW91D D=3.32 DR=PW91D
  V     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  I     2.39488857 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.53771586 +1  112.5551635 +1    0.0000000 +0     1     2     0
  O     1.53765777 +1  112.5762503 +1  175.0057812 +1     1     2     3