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

geci3 (cudkiv)   6156 GeCI3 (CUDKIV)

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    #  Species Formula
  6146 Scandium(III) triiodide (Geo)ScI3
  6147 Titanium triiodideTiI3
  6148 Vanadium(III) triiodideVI3
  6149 Vanadium(III) triiodide (Geo)VI3
  6150 Cobalt triiodideCoI3
  6151 Cobalt triiodide (Geo)CoI3
  6152 Ni(III)I3P2 (GAPYAX) (Geo)C6H18P2NiI3
  6153 Gallium triiodide (Geo)GaI3
  6154 Gallium triiodideGaI3
  6155 GeCI3 (CUDKIV) (Geo)CH3GeI3
  6156 GeCI3 (CUDKIV) CH3GeI3
  6157 GeCI3 (BAFNIG) (Geo)C10H15GeI3
  6158 GeCI3 (BAFNIG)C10H15GeI3
  6159 Arsenic triiodide (Geo)AsI3
  6160 Yttrium(III) triiodide (Geo)YI3
  6161 Yttrium(III) triiodideYI3
  6162 Zirconium triiodideZrI3
  6163 Niobium(III) triiodide (Geo)NbI3
  6164 Niobium(III) triiodideNbI3
  6165 Niobium(V) oxide triiodide (Geo)ONbI3
  6166 Niobium(V) oxide triiodideONbI3


ΔHf: -33.6 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
GeCI3 (CUDKIV)
 H=-33.6 HR=PW91D
  I     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Ge     2.36044951 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.93361804 +1  108.3045434 +1    0.0000000 +0     2     1     0
  I     2.36164941 +1  110.8501425 +1 -118.2660315 +1     2     1     3
  H     1.09096249 +1  110.1549774 +1  179.7731588 +1     3     2     1
  H     1.09097498 +1  110.2125238 +1  120.0205072 +1     3     2     5
  H     1.09102549 +1  110.1967658 +1  119.9965325 +1     3     2     6
  I     2.36388964 +1  110.7280836 +1 -123.3909894 +1     2     1     4