Accuracy

pi3r   6141 Phosphorus triiodide (Geo)

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    #  Species Formula
  6131 Boron triiodide (Geo)BI3
  6132 Boron triiodideBI3
  6133 Iodoform (Geo)HCI3
  6134 IodoformHCI3
  6135 Aluminum triiodide (Geo)AlI3
  6136 Aluminum triiodideAlI3
  6137 TriiodosilaneHSiI3
  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


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
Phosphorus triiodide
 <P-I> <> <I-P-I> GR=PW91D
  P     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  I     2.52130400 +1    0.0000000 +0    0.0000000 +0     1     0     0
  I     2.51883617 +1  103.7812210 +1    0.0000000 +0     1     2     0
  I     2.51729049 +1  103.3971650 +1  107.5491467 +1     1     2     3