Accuracy

vi3r   6148 Vanadium(III) triiodide (Geo)

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    #  Species Formula
  6138 SiSiI3 (MEFDEG) (Geo)C12H27Si2I3
  6139 SiSiI3 (MEFDEG)C12H27Si2I3
  6140 Phosphorus triiodidePI3
  6141 Phosphorus triiodide (Geo)PI3
  6142 Me3PI3(+) (HEDGIG) (Geo)CH3PI3
  6143 C2PI (BOCROB) (Geo)C10H18P3I3
  6144 Scandium triiodideScI3
  6145 Scandium(III) triiodide (Geo)ScI3
  6146 Titanium triiodideTiI3
  6147 Vanadium(III) triiodideVI3
  6148 Vanadium(III) triiodide (Geo) VI3
  6149 Cobalt triiodideCoI3
  6150 Cobalt triiodide (Geo)CoI3
  6151 Ni(III)I3P2 (GAPYAX) (Geo)C6H18P2NiI3
  6152 Gallium triiodide (Geo)GaI3
  6153 Gallium triiodideGaI3
  6154 GeCI3 (CUDKIV) (Geo)CH3GeI3
  6155 GeCI3 (CUDKIV)CH3GeI3
  6156 GeCI3 (BAFNIG) (Geo)C10H15GeI3
  6157 GeCI3 (BAFNIG)C10H15GeI3
  6158 Arsenic triiodide (Geo)AsI3


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(III) triiodide
 <V-I> GR=PW91D
  V     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  I     2.51746200 +1    0.0000000 +0    0.0000000 +0     1     0     0
  I     2.29398472 +1  120.0080864 +1    0.0000000 +0     1     2     0
  I     2.29396877 +1  119.9731076 +1  179.9991797 +1     1     2     3