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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) -253.5 -207.7 14.3 16.6 4,4'-Biphenol bis(caprolactam) (KEWZUI)
2 (JSmol) -365.7 -326.7 14.0 20.5 bis(Pyridinium) oxalate oxalic acid (DEFCUM)
3 (JSmol) -139.7 -106.3 12.4 19.1 Cinnamic acid 3-nitrobenzamide (OPUSOI)
4 (JSmol) -47.8 -8.0 13.1 12.8 Carbamazepine isonicotinamide (LOFKIB01)
5 (JSmol) -192.4 -151.1 11.7 13.7 Aspirin carbamazepine (TAZRAO)
6 (JSmol) -229.0 -124.1 16.6 15.1 tris(4,4'-Biphenol) bis(2-aminopyridine) (KEXBAR)
7 (JSmol) -262.2 -231.2 18.6 19.4 Resorcinol bis(caprolactam) (QQQGHM01)
8 (JSmol) -397.7 -347.0 13.8 21.0 Succinic acid bis(urea) (VEJXAJ)
9 (JSmol) -175.2 -150.3 15.2 22.3 4-(Dimethylamino)pyridinium hydrogen phthalate (GUKVOY)
10 (JSmol) -181.5 -165.0 12.5 18.3 4-(Dimethylamino)pyridinium hydrogen maleate (GUKVUE)
11 (JSmol) -173.7 -139.1 13.1 17.6 bis(4-(Dimethylamino)pyridinium) terephthalate (GUKWAL)
12 (JSmol) -375.6 -332.5 14.0 18.7 bis(4-(Dimethylamino)pyridinium) fumarate fumaric acid (GUKWIT)
13 (JSmol) -153.4 -124.8 10.8 23.9 bis(Pyridine) fumaric acid (GUKWOZ)
14 (JSmol) -182.9 -145.6 10.6 12.1 Isonicotinamide 3-hydroxybenzoic acid (LUNMEM)
15 (JSmol) -347.7 -318.2 16.3 46.7 Oxalic acid dihydrate (OXACDH26)
16 (JSmol) -123.0 -86.6 12.1 13.0 4-Aminobenzoic acid 4-nitroaniline (RILJEB)
17 (JSmol) -288.7 -252.0 12.1 20.0 Malonic acid bis(isonicotinamide) (ULAWEJ)
18 (JSmol) -186.8 -148.8 9.8 12.1 4-Hydroxybenzoic acid isonicotinamide (VAKTOR)
19 (JSmol) -371.4 -313.8 4.9 9.7 bis(Urea) oxalic acid (UROXAL01)
20 (JSmol) -562.0 -506.7 13.1 15.2 Dipyridinium bis(hydrogen-oxalate) oxalic acid (DUVLUB)
21 (JSmol) -194.2 -130.9 6.2 10.3 Cyanuric acid-Melamine (QACSUI)