(All solids - Periodic Table - Home - PM7 Accuracy - Manual)
HoF Errors: < 2 kcal/mol < 5 kcal/mol < 10 kcal/mol < 20 kcal/mol < 50 kcal/mol. Geometries: 0: good, 100: bad
# GUI Heat of formation (Kcal/formula unit) Geometry Species
Ref. PM7 PM6 PM7 PM6
1 (JSmol) -167.9 -175.8 4.4 54.2 Hydrogen chloride dihydrate (ICSD 15353)
2 (JSmol) -141.8 -165.0 2.7 44.0 Hydrogen bromide dihydrate (HBr (H2O)2) (ICSD 34105)
3 (JSmol) -650.3 -603.3 13.3 24.8 Phosphoric acid hemihydrate ((H3PO4)2 H2O) (ICSD 2096)
4 (JSmol) -181.6 -148.9 26.7 52.2 Rubidium hydroxide hydrate (RbOH (H2O)) (ICSD 47115)
5 (JSmol) -468.5 -431.8 38.3 56.4 Hydrogen chloride hexahydrate (H9O4(+) Cl(-) 2(H2O)) (ICSD 2235)
6 (JSmol) -162.0 -146.7 32.2 89.3 Potassium hydroxide hydrate (KOH (H2O)) (ICSD 47114)
7 (JSmol) -160.2 -143.2 29.9 86.8 Potassium hydroxide hydrate (KOH H2O) (ICSD 1706151)
8 (JSmol) -845.8 -1066.8 29.1 62.0 Barium hydroxide octahydrate (BaO10H18)
9 (JSmol) -282.4 -253.0 20.1 28.8 Sulfuric acid hydrate (H2SO4 (H2O)) (ICSD 1413417)
10 (JSmol) -3309.8 -2567.6 3.6 24.5 Keggin Dodecatungstophosphoric acid hexahydrate ((H5 O2)3 P W12 O40)
11 (JSmol) -279.8 -249.7 20.6 31.4 Nitric acid trihydrate (HNO3 (H2O)3) (ICSD 1902)
12 (JSmol) -281.4 -244.6 20.6 34.8 Perchloric acid trihydrate (HClO4 (H2O)3) (ICSD 27248)
13 (JSmol) -1416.8 -1129.9 10.4 45.9 Dodecahydroxo-dodecatungstate henicosahydrate (W4O21H18)
14 (JSmol) -511.0 -444.0 17.4 11.8 Sulfuric acid tetrahydrate (H2SO4 4(H2O)) (ICSD 2783)
15 (JSmol) -169.0 -163.9 10.4 38.9 Cesium hydroxide hydrate (CsOH H2O) (ICSD 280909)
16 (JSmol) -839.7 -840.0 37.3 31.4 Hydroxonium 18-Crown-6 clathrate hexafluorotantalate (SINSEO)
17 (JSmol) -126.2 -111.3 25.2 53.1 Oxonium perchlorate (H3O(+) ClO4(-)) (ICSD 23866)
18 (JSmol) -802.0 -687.8 23.7 43.2 18-Crown-6-oxonium hexafluoroniobate (SINSAK)
19 (JSmol) -629.3 -527.0 18.9 24.8 Aqua-chloro-(15-crown-5)-iron(ii) oxonium tetrachloro-iron(ii) monohydrate (XEQGUV)
20 (JSmol) -444.4 -440.8 19.3 26.8 Oxonium hexafluoroarsenate(V) (AsF6 (H3O)) (ICSD 61236)
21 (JSmol) -538.5 -567.2 17.2 76.8 Oxonium aqua-tetrabromo-oxo-molybdenum 18-crown-6 (KUZTII)
22 (JSmol) -615.2 -601.0 22.7 25.2 18-Crown-6 hydroxonium clathrate aqua-oxo-tetrachloro-molybdenum (JOKGOF01)
23 (JSmol) -1051.6 -1082.2 8.4 16.1 (Perfluoroisopropyl)oxonium (mu-2-fluoro)-bis(pentafluoro-antimonate) (GOBDEG)
24 (JSmol) -123.6 -113.0 12.6 18.1 Oxonium nitrate (H3O NO3) (ICSD 1900)
25 (JSmol) -663.6 -629.4 11.6 13.9 18-Crown-6 oxonium clathrate aqua-pentachloro-titanium (SEPJEC)
26 (JSmol) -563.9 -541.9 19.1 23.1 18-Crown-6 hydroxonium clathrate aqua-oxo-tetrabromo-tungsten (NANQEY)
27 (JSmol) -606.7 -539.3 9.9 15.5 18-Crown-6 oxonium hexachloro-tantalum(v) (TEDYUW)
28 (JSmol) -12.1 8.7 9.2 12.5 bis(Triethylammonium) dioxonium octacyano-molybdenum(iv) (TEAMOC)