Time stamp: Sun Jul 12 17:28:18 2020 HoF Errors: < 2 kcal/mol   < 5 kcal/mol   < 10 kcal/mol   < 20 kcal/mol   < 50 kcal/mol.   Geometries: 0: good, 100: bad

Comparison of Structures of 27 Germanium-containing Solids predicted using PM7 and PM6-D3H4 with X-Ray

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Average unsigned error in PM7 HoF: 6.44 kcal/mol, for 4 solids
Average unsigned error in PM6-D3H4 HoF: 11.82 kcal/mol, for 4 solids

     #     GUI   Heat of formation (Kcal/formula unit) Geometry        Species
                    Ref.        PM7     PM6-D3H4      PM7 PM6-D3H4 
  1098  (JSmol)              -322.7     -304.1       26.8   26.2   (Ethylenediamine)-tetrahydroxy-germanium(iv) (NOHHIC)
  1099  (JSmol)              -245.1     -240.1       17.4   17.9   1-Fluoro-2,8,9-trioxa-5-aza-1-germatricycloundecane (GAQMEQ01)
  1100  (JSmol)                21.1       28.8       16.6    7.6   7,7,14,4-Tetramethyldinaphtho-di-germanium (YIHWOB)
  1101  (JSmol)              -425.8     -433.8       26.9   18.5   Biguanidinium hexafluoro-germanium (NEQFUL)
  1102  (JSmol)                33.4       36.2       33.8   14.8   Dimethylgermanium dicyanide (DMCYGE)
  1103  (JSmol)               -16.4       -3.3       10.4   12.3   Dodecamethyl-cyclohexagermane (DOMEGE)
  1104  (JSmol)     0.0        -2.2        3.2       12.1    4.5   Germanium (Ge) (ICSD 256961) hexagonal
  1105  (JSmol)     0.0        -2.4       -2.3        3.5    0.9   Germanium (Ge) (ICSD 636535) cubic
  1106  (JSmol)              -167.1     -187.8       35.4   50.8   Germanium(ii) fluoride (GeF2)
  1107  (JSmol)  -138.6      -121.7     -129.1       13.5   11.0   Germanium(iv) dioxide (GeO2) (ICSD 59639)
  1108  (JSmol)                79.0       93.4       29.3   40.7   Germanocene (CEGTOX)
  1109  (JSmol)              -315.9     -301.6       28.6   24.5   Tetrafluoro-(1,2-bis(dimethylamino)ethane)-germanium(iv) (DITCAL)
  1110  (JSmol)              -263.8     -271.1       18.2   20.1   trans-Tetrafluoro-bis(pyridine)-germanium(iv) (HUMCOH01)
  1111  (JSmol)               -67.7      -85.1       27.5   29.0   bis(Ethylenediammonium) bis((mu-2-sulfido)-disulfido-germanium) (WADWEE)
  1112  (JSmol)              -243.8     -179.4       38.0   34.9   1,4-Dioxane dichloro-germanium (DIOXGC03)
  1113  (JSmol)              -191.5     -132.8       26.1   15.4   Tetramethylammonium trichloro-germanium(ii) (TMACGE20)
  1114  (JSmol)              -613.9     -844.7       28.8   38.2   Potassium hexafluorogermanate (K2GeF6) (ICSD 30310)
  1115  (JSmol)              -100.9      -94.9        7.1    5.7   hexakis(mu-2-Sulfido)-tetrakis(t-butyl-germanium) (JORPAH)
  1116  (JSmol)              -427.7     -254.2       69.7   22.0   Germanium chloride (Ge3Cl8) (ICSD 86673)
  1117  (JSmol)              -704.4     -680.1       14.2    9.7   catena(bis(Methylammoninum) decaoxadigalliumtrigermanate) (FIGQIV)
  1161  (JSmol)                -2.9     -131.6       17.6   33.5   Germanium(iv) diselenide (GeSe2) (ICSD 614)
  1224  (JSmol)               -80.4      -27.7       38.7   16.0   Germanium(ii) bromide (GeBr2)
  1247  (JSmol)              -120.3     -105.1       13.4   23.9   Tetrabromo-(1,2-bis(dimethylamino)ethane)-germanium(iv) (DITCUF)
  1657  (JSmol)               -15.5     -198.1        5.2   41.4   Germanium telluride (GeTe) (cubic) (ICSD 600823)
  1658  (JSmol)               -15.9     -189.8       10.2   27.4   Germanium telluride (GeTe) (hexagonal) (ICSD 56041)
  1757  (JSmol)               -41.2      -52.6       11.2   26.6   Tri-iodo-methyl-germanium (CUDKIV)
  1778  (JSmol)   -33.9       -38.2      -66.2       16.5   35.7   Germanium(ii) iodide (GeI4) (ICSD 67896)