Accuracy

vo2ir   5907 Vanadium(V) iodide dioxide (Geo)

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    #  Species Formula
  5897 Scandium(III) oxide iodideOScI
  5898 Scandium(III) oxide iodide (Geo)OScI
  5899 TiITiI
  5900 Titanium(I) iodide (Geo)TiI
  5901 Titanium(I) iodideTiI
  5902 Ti(III)Cp2I (PEMKOH) (Geo)C18H26TiI
  5903 Ti(III)Cp2I (PEMKOH)C18H26TiI
  5904 Vanadium(I) iodideVI
  5905 Vanadium(I) iodide (Geo)VI
  5906 Vanadium(V) iodide dioxideO2VI
  5907 Vanadium(V) iodide dioxide (Geo) O2VI
  5908 Chromium(I) iodideCrI
  5909 Chromium(I) iodide (Geo)CrI
  5910 Manganese(I) iodideMnI
  5911 Manganese(I) iodide (Geo)MnI
  5912 Mn(CO)3N2I (YOMHEN) (Geo)C13H8N2O3MnI
  5913 Mn(CO)3N2I (YOMHEN)C13H8N2O3MnI
  5914 Mn(CO)5I (VUCFAA) (Geo)C5O5MnI
  5915 Mn(CO)5IC5O5MnI
  5916 Manganese IS (Geo)HSMnI
  5917 Manganese I F PH2 SH (Geo)H3FPSMnI


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
 <V-I> <V=O> GR=PW91D
  V     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  I     2.54816000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.60525000 +1  112.4171501 +1    0.0000000 +0     1     2     0
  O     1.54773838 +1  112.6891503 +1  178.8471827 +1     1     2     3