Accuracy

geo2i (iacger)   5947 GeO2I (IACGER)

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    #  Species Formula
  5937 Copper(III) oxide iodideOCuI
  5938 Copper(III) oxide iodide (Geo)OCuI
  5939 Zn(II)N4I(+) (ZNETAM10) (Geo)C6H18N4ZnI
  5940 Zn(II)N4I(+) (ZNETAM10)C6H18N4ZnI
  5941 Gallium iodide (Geo)GaI
  5942 Gallium iodideGaI
  5943 GaH3-HI, complex (Geo)H4GaI
  5944 Iodogermane (Geo)H3GeI
  5945 IodogermaneH3GeI
  5946 GeO2I (IACGER) (Geo)C5H7O2GeI
  5947 GeO2I (IACGER) C5H7O2GeI
  5948 GeC2S2I (KADKUV) (Geo)C5H12NS2GeI
  5949 GeC2S2I (KADKUV)C5H12NS2GeI
  5950 As(V)IC2As(+) (FARRAR) (Geo)C4H12As2I
  5951 As(V)IC2As(+) (FARRAR)C4H12As2I
  5952 Iodine bromide (Geo)BrI
  5953 Iodine bromideBrI
  5954 1-Bromo-4-iodobutadieneC4H4BrI
  5955 1-Bromo-4-iodobutadiene (Geo)C4H4BrI
  5956 Titanium PH2 SH Br I (Geo)H3PSTiBrI
  5957 Titanium C Cl Br I (Geo)CH3ClTiBrI


ΔHf: -108.6 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
GeO2I (IACGER)
 H=-108.6 HR=PW91D
 Ge     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  I     2.45779433 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.85840435 +1  100.0122185 +1    0.0000000 +0     1     2     0
  O     1.85669452 +1  100.1586598 +1   88.3309992 +1     1     2     3
  C     2.32873606 +1  167.4980572 +1   63.4183521 +1     3     1     2
  C     1.25895289 +1  133.2834322 +1   22.8620990 +1     3     1     5
  C     1.39991966 +1  121.9726416 +1    9.2845625 +1     6     3     1
  C     1.25798776 +1  133.3755364 +1  -85.5946422 +1     4     1     2
  C     1.49384728 +1  115.7784448 +1  170.0765213 +1     8     4     1
  H     1.09714231 +1  141.7273895 +1   17.1698186 +1     5     3     1
  H     1.10349640 +1   91.1969953 +1 -121.7814029 +1     5     3    10
  H     1.10242023 +1   97.3072121 +1 -106.4928630 +1     5     3    11
  H     1.08097847 +1  119.5635824 +1 -179.5375768 +1     7     6     3
  H     1.09871906 +1  111.8534989 +1  131.9128366 +1     9     8     4
  H     1.10244565 +1  111.7987737 +1 -121.1291797 +1     9     8    14
  H     1.10223006 +1  110.5096085 +1 -119.1195638 +1     9     8    15