(All solids - Periodic Table - Home - PM7 Accuracy - Manual)
| Ref | PM7 DHf | PM7 | PM7 | |PM7| | PM6 DHf | PM6 | PM6 | |PM6| | |||||
| Chemical | DHs | Molecule | Solid | DHs | Error | Error | Molecule | Solid | DHs | Error | Error | ||
| Iodine | 14.9 | 13.5 | -0.3 | 13.8 | -1.1 | 1.1 | 13.3 | -35.4 | 48.7 | 33.8 | 33.8 | ||
| Water | 11.9 | -57.8 | -78.3 | 20.5 | 8.6 | 8.6 | -54.3 | -64.6 | 10.3 | -1.6 | 1.6 | ||
| Carbon dioxide | 6.2 | -84.5 | -89.0 | 4.5 | -1.7 | 1.7 | -84.8 | -86.7 | 1.9 | -4.3 | 4.3 | ||
| Iodoform | 16.7 | 50.4 | 33.4 | 17.0 | 0.3 | 0.3 | 54.3 | 20.0 | 34.3 | 17.6 | 17.6 | ||
| Methane | 2.3 | -14.4 | -12.9 | -1.5 | -3.8 | 3.8 | -12.3 | -12.9 | 0.6 | -1.7 | 1.7 | ||
| Urea | 21.7 | -51.1 | -79.6 | 28.5 | 6.8 | 6.8 | -48.2 | -65.7 | 17.5 | -4.2 | 4.2 | ||
| Oxalic acid | 23.1 | -166.3 | -194.7 | 28.4 | 5.3 | 5.3 | -156.3 | -175.8 | 19.5 | -3.6 | 3.6 | ||
| Glycine | 32.6 | -93.2 | -122.9 | 29.7 | -2.9 | 2.9 | -93.2 | -122.9 | 29.7 | -2.9 | 2.9 | ||
| Alanine | 31.8 | -99.1 | -132.0 | 32.9 | 1.1 | 1.1 | -99.4 | -132.0 | 32.6 | 0.8 | 0.8 | ||
| Propane | 6.8 | -23.1 | -30.4 | 7.3 | 0.5 | 0.5 | -21.0 | -23.2 | 2.2 | -4.6 | 4.6 | ||
| Maleic anhydride | 16.7 | -82.4 | -98.8 | 16.4 | -0.3 | 0.3 | -84.4 | -94.9 | 10.5 | -6.2 | 6.2 | ||
| Uracil | 31.3 | -74.2 | -107.1 | 32.9 | 1.6 | 1.6 | -75.6 | -95.2 | 19.6 | -11.7 | 11.7 | ||
| 2-Aminopyridine | 18.3 | 28.2 | 2.8 | 25.4 | 7.1 | 7.1 | 30.6 | 21.4 | 9.2 | -9.1 | 9.1 | ||
| 3-Aminopyridine | 19.3 | 31.4 | 9.5 | 21.9 | 2.6 | 2.6 | 32.7 | 23.2 | 9.5 | -9.8 | 9.8 | ||
| 4-Aminopyridine | 20.8 | 27.9 | 3.1 | 24.8 | 4.0 | 4.0 | 29.4 | 19.0 | 10.4 | -10.4 | 10.4 | ||
| Thymine | 32.0 | -82.5 | -116.5 | 34.0 | 2.0 | 2.0 | -82.9 | -100.8 | 17.9 | -14.1 | 14.1 | ||
| Methionine | 39.2 | -98.0 | -137.6 | 39.6 | 0.4 | 0.4 | -98.7 | -126.9 | 28.2 | -11.0 | 11.0 | ||
| n-pentane | 10.0 | -33.3 | -43.6 | 10.3 | 0.3 | 0.3 | -31.0 | -32.9 | 1.9 | -8.1 | 8.1 | ||
| Hexachlorobenzene | 21.6 | -16.8 | -63.8 | 47.0 | 25.4 | 25.4 | -10.0 | -12.5 | 2.5 | -19.1 | 19.1 | ||
| Hexafluorobenzene | 11.9 | -236.2 | -250.8 | 14.6 | 2.7 | 2.7 | -237.1 | -237.4 | 0.3 | -11.6 | 11.6 | ||
| 2,4,6 Tribromoaniline | 24.1 | 33.2 | 1.0 | 32.2 | 8.1 | 8.1 | 21.8 | -30.7 | 52.5 | 28.4 | 28.4 | ||
| Benzene | 10.8 | 23.0 | 15.2 | 7.8 | -3.0 | 3.0 | 24.2 | 21.0 | 3.2 | -7.6 | 7.6 | ||
| 4-Nitroaniline | 24.1 | 13.0 | -17.6 | 30.6 | 6.5 | 6.5 | 12.1 | -4.3 | 16.4 | -7.7 | 7.7 | ||
| 2-Aminophenol | 23.2 | -25.5 | -46.8 | 21.3 | -1.9 | 1.9 | -20.6 | -38.2 | 17.6 | -5.6 | 5.6 | ||
| 3-Aminophenol | 24.4 | -25.4 | -51.7 | 26.3 | 1.9 | 1.9 | -25.8 | -36.5 | 10.7 | -13.7 | 13.7 | ||
| 4-Aminophenol | 24.8 | -21.6 | -54.5 | 32.9 | 8.1 | 8.1 | -21.4 | -40.7 | 19.3 | -5.5 | 5.5 | ||
| Cyclohexane | 5.2 | -27.4 | -38.1 | 10.7 | 5.5 | 5.5 | -27.5 | -29.6 | 2.1 | -3.1 | 3.1 | ||
| 4-Fluorobenzoic acid | 21.8 | -112.1 | -136.6 | 24.5 | 2.7 | 2.7 | -111.2 | -123.2 | 12.0 | -9.8 | 9.8 | ||
| 4-Chlorobenzoic acid | 24.6 | -73.2 | -105.5 | 32.3 | 7.7 | 7.7 | -72.3 | -86.0 | 13.7 | -10.9 | 10.9 | ||
| Benzoic acid | 21.9 | -66.1 | -88.9 | 22.8 | 0.9 | 0.9 | -64.6 | -74.6 | 10.0 | -11.9 | 11.9 | ||
| Tyrosine | 52.3 | -118.4 | -172.2 | 53.8 | 1.5 | 1.5 | -117.0 | -150.9 | 33.9 | -18.4 | 18.4 | ||
| Naphthalene | 17.3 | 39.7 | 20.1 | 19.6 | 2.3 | 2.3 | 40.1 | 35.9 | 4.2 | -13.1 | 13.1 | ||
| Ferrocene | 17.5 | 50.3 | 34.3 | 16.0 | -1.5 | 1.5 | 49.3 | 34.0 | 15.3 | -2.2 | 2.2 | ||
| Adamantane | 14.1 | -28.6 | -42.2 | 13.6 | -0.5 | 0.5 | -33.2 | -35.8 | 2.6 | -11.5 | 11.5 | ||
| Hexamethylbenzene | 20.3 | -24.6 | -48.4 | 23.8 | 3.5 | 3.5 | -23.9 | -28.2 | 4.3 | -16.0 | 16.0 | ||
| Pyrene | 24.0 | 62.5 | 33.0 | 29.5 | 5.5 | 5.5 | 61.4 | 56.2 | 5.2 | -18.8 | 18.8 | ||
| Averages: | 3.88 | 10.29 | |||||||||||