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

aluminum triiodide   6137 Aluminum triiodide

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    #  Species Formula
  6127 Sb(III)C2I2(-) (ELECED)C2H6SbI2
  6128 Te(IV)C2I2 (DIDMTE) (Geo)C2H6TeI2
  6129 Te(IV)C2I2 (DIDMTE)C2H6TeI2
  6130 Te(II)S2I2 (FOBBAZ) (Geo)C2H8N4S2TeI2
  6131 Te(II)S2I2 (FOBBAZ)C2H8N4S2TeI2
  6132 Boron triiodide (Geo)BI3
  6133 Boron triiodideBI3
  6134 Iodoform (Geo)HCI3
  6135 IodoformHCI3
  6136 Aluminum triiodide (Geo)AlI3
  6137 Aluminum triiodide AlI3
  6138 TriiodosilaneHSiI3
  6139 SiSiI3 (MEFDEG) (Geo)C12H27Si2I3
  6140 SiSiI3 (MEFDEG)C12H27Si2I3
  6141 Phosphorus triiodidePI3
  6142 Phosphorus triiodide (Geo)PI3
  6143 Me3PI3(+) (HEDGIG) (Geo)CH3PI3
  6144 C2PI (BOCROB) (Geo)C10H18P3I3
  6145 Scandium triiodideScI3
  6146 Scandium(III) triiodide (Geo)ScI3
  6147 Titanium triiodideTiI3


ΔHf: -46.2 kcal/mol,     REF: M. W. Chase, C. A. Davies, J. R. Downey, D. R. Frurip, R. A. McDonald, A. N. Syverud, JANAF Thermochemical Tables, Third Edition, J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985).
  
 SYMMETRY PM7
Aluminum triiodide
 H=-46.2 HR=JANAF86
  I     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Al     2.42687342 +1    0.0000000 +0    0.0000000 +0     1     0     0
  I     2.42687342 +1  120.0000000 +1    0.0000000 +0     2     1     0
  I     2.42687342 +1  120.0000000 +1  180.0000000 +1     2     1     3