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 with X-Ray
(All solids - Periodic Table - Home - PM7 Accuracy - Manual)
Average unsigned error in PM7 HoF: 6.71 kcal/mol, for 4 solids
Average unsigned error in PM6 HoF: 10.61 kcal/mol, for 4 solids
# GUI Heat of formation (Kcal/formula unit) Geometry Species
Ref. PM7 PM6 PM7 PM6
1033 (JSmol) 0.0 -2.2 3.9 12.1 4.5 Germanium (Ge) (ICSD 256961) hexagonal
1034 (JSmol) 0.0 -2.4 -1.4 3.5 0.9 Germanium (Ge) (ICSD 636535) cubic
1035 (JSmol) -16.4 -9.9 10.2 10.6 Dodecamethyl-cyclohexagermane (DOMEGE)
1036 (JSmol) 78.3 102.2 22.9 40.4 Germanocene (CEGTOX)
1037 (JSmol) 21.6 34.9 9.3 6.6 7,7,14,4-Tetramethyldinaphtho-di-germanium (YIHWOB)
1038 (JSmol) 31.2 36.3 33.8 13.2 Dimethylgermanium dicyanide (DMCYGE)
1039 (JSmol) -138.6 -121.2 -126.1 10.8 11.2 Germanium(iv) dioxide (GeO2) (ICSD 59639)
1040 (JSmol) -327.8 -263.7 26.8 25.7 (Ethylenediamine)-tetrahydroxy-germanium(iv) (NOHHIC)
1041 (JSmol) -251.6 -241.6 16.3 16.9 1-Fluoro-2,8,9-trioxa-5-aza-1-germatricycloundecane (GAQMEQ01)
1042 (JSmol) -166.9 -184.9 33.3 50.9 Germanium(ii) fluoride (GeF2)
1043 (JSmol) -320.6 -314.8 31.7 23.6 Tetrafluoro-(1,2-bis(dimethylamino)ethane)-germanium(iv) (DITCAL)
1044 (JSmol) -262.9 -250.7 20.6 18.7 trans-Tetrafluoro-bis(pyridine)-germanium(iv) (HUMCOH01)
1045 (JSmol) -414.8 -423.5 21.9 19.3 Biguanidinium hexafluoro-germanium (NEQFUL)
1046 (JSmol) -65.3 -88.6 23.3 27.0 bis(Ethylenediammonium) bis((mu-2-sulfido)-disulfido-germanium) (WADWEE)
1047 (JSmol) -248.5 -181.3 36.1 37.0 1,4-Dioxane dichloro-germanium (DIOXGC03)
1048 (JSmol) -193.2 -139.6 25.8 13.3 Tetramethylammonium trichloro-germanium(ii) (TMACGE20)
1049 (JSmol) -615.8 -838.0 27.4 37.7 Potassium hexafluorogermanate (K2GeF6) (ICSD 30310)
1050 (JSmol) -107.4 -106.8 5.3 3.6 hexakis(mu-2-Sulfido)-tetrakis(t-butyl-germanium) (JORPAH)
1051 (JSmol) -424.6 -242.2 66.8 21.9 Germanium chloride (Ge3Cl8) (ICSD 86673)
1052 (JSmol) -703.2 -646.6 14.5 8.6 catena(bis(Methylammoninum) decaoxadigalliumtrigermanate) (FIGQIV)
1096 (JSmol) -2.9 -126.6 17.6 33.8 Germanium(iv) diselenide (GeSe2) (ICSD 614)
1158 (JSmol) -80.5 -23.1 35.8 16.0 Germanium(ii) bromide (GeBr2)
1181 (JSmol) -124.4 -117.3 12.9 22.6 Tetrabromo-(1,2-bis(dimethylamino)ethane)-germanium(iv) (DITCUF)
1591 (JSmol) -13.7 -195.2 1.9 41.4 Germanium telluride (GeTe) (cubic) (ICSD 600823)
1592 (JSmol) -14.1 -187.1 9.3 27.1 Germanium telluride (GeTe) (hexagonal) (ICSD 56041)
1691 (JSmol) -41.2 -49.5 12.1 26.0 Tri-iodo-methyl-germanium (CUDKIV)
1712 (JSmol) -33.9 -38.8 -58.6 17.5 33.9 Germanium(ii) iodide (GeI4) (ICSD 67896)