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

tantalum(iii) triiodide   7336 Tantalum(III) triiodide

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    #  Species Formula
  7326 Tantalum pentachloride (Geo)Cl5Ta
  7327 Tantalum(V) pentachlorideCl5Ta
  7328 Ta(V)Cl6(-) (EMUCOE) (Geo)Cl6Ta
  7329 Tantalum(III) tribromide (Geo)Br3Ta
  7330 Tantalum(III) tribromideBr3Ta
  7331 Tantalum(V) oxide tribromideOBr3Ta
  7332 Tantalum(V) oxide tribromide (Geo)OBr3Ta
  7333 Tantalum(V) tetrabromide, cation (Geo)Br4Ta
  7334 Tantalum(V) tetrabromide, cationBr4Ta
  7335 Tantalum(III) triiodide (Geo)I3Ta
  7336 Tantalum(III) triiodide I3Ta
  7337 Tantalum(V) oxide triiodideOI3Ta
  7338 Tantalum(V) oxide triiodide (Geo)OI3Ta
  7339 Tantalum(V) tetraiodide, cation (Geo)I4Ta
  7340 Tantalum(V) tetraiodide, cationI4Ta
  7341 Ta6Cl12, dicationCl12Ta6
  7342 Ta6Br12, dicationBr12Ta6
  7343 Tungsten, cationW
  7344 Tungsten, atomW
  7345 Bicyclopentadienyl tungsten dihydrideC10H12W
  7346 Dibenzene tungstenC12H12W


ΔHf: -25.1 kcal/mol,     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
Tantalum(III) triiodide
 H=-25.1 HR=PW91D
  I     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Ta     2.68578404 +1    0.0000000 +0    0.0000000 +0     1     0     0
  I     2.68573531 +1  119.9975910 +1    0.0000000 +0     2     1     0
  I     2.68575792 +1  120.0088230 +1  179.8113872 +1     2     1     3