Average Errors in Heat of Formation (kcal/mol )

     Element PM6 No. in setPM5No. in set PM3 No. in set AM1 No. in set
  1 Hydrogen 7.29 3039 20.13 3003 17.09 2340 21.12 2270
  2 Helium 0.00 1 0.00 1 0.00 1 0.00 1
  3 Lithium 7.98 83 15.31 83 18.02 83 18.84 82
  4 Beryllium 5.92 34 29.06 34 29.58 34 18.51 34
  5 Boron 6.44 122 11.15 122 11.84 120 13.80 5
  6 Carbon 7.31 2828 20.17 2795 15.06 2155 19.42 2123
  7 Nitrogen 8.22 1067 27.17 1051 20.96 761 24.23 744
  8 Oxygen 8.42 1758 21.32 1733 20.13 1244 27.68 1229
  9 Fluorine 8.49 497 23.98 491 21.25 350 37.40 334
10 Neon 0.00 1 0.00 1 0.00 1 0.00 1
11 Sodium 5.72 40 8.63 40 9.47 39 10.77 38
12 Magnesium 9.84 66 12.07 66 17.94 66 18.71 66
13 Aluminium 7.61 75 17.49 75 19.15 75 18.99 75
14 Silicon 6.51 98 10.34 98 12.80 96 17.00 95
15 Phosphorus 8.20 110 16.39 110 17.36 98 20.06 95
16 Sulfur 8.81 427 24.77 426 18.44 330 26.38 323
17 Chlorine 8.28 670 29.24 655 18.71 390 23.06 383
18 Argon 0.00 1 0.00 1 0.00 1 0.00 1
19 Potassium 6.53 43 12.74 43 9.36 42 28.38 41
20 Calcium 11.87 43 28.68 43 43.44 43 63.20 43
21 Scandium 10.33 52 25.79 52 - - - -
22 Titanium 10.20 85 15.18 85 - - - -
23 Vanadium 14.29 59 40.53 59 - - - -
24 Chromium 14.09 60 35.86 60 - - - -
25 Manganese 12.77 44 24.33 44 - - - -
26 Iron 18.31 76 28.97 76 - - - -
27 Cobalt 15.51 42 19.89 42 - - - -
28 Nickel 15.10 51 35.63 51 - - - -
29 Copper 13.00 47 38.36 47 - - - -
30 Zinc 5.56 54 17.84 54 32.93 54 37.06 54
31 Gallium 7.51 47 29.12 47 37.58 47 46.87 47
32 Germanium 9.83 67 12.20 67 15.86 67 19.12 67
33 Arsenic 6.94 49 15.22 49 16.68 49 17.34 49
34 Selenium 4.40 25 39.58 25 39.71 25 32.00 25
35 Bromine 7.37 330 23.87 326 25.04 199 28.22 199
36 Krypton 0.00 1 0.00 1 0.00 1 0.00 1
37 Rubidium 10.91 24 16.57 24 21.47 24 29.33 23
38 Strontium 7.72 38 52.46 38 103.16 38 57.21 38
39 Yttrium 13.28 51 23.23 51 - - - -
40 Zirconium 11.18 46 23.47 46 - - - -
41 Niobium 8.57 51 114.82 51 - - - -
42 Molybdenum 13.41 70 47.78 70 - - 35.77 69
43 Technetium 15.14 50 45.69 50 - - - -
44 Ruthenium 13.87 56 47.65 56 - - - -
45 Rhodium 20.92 32 36.67 32 - - - -
46 Palladium 11.65 47 19.17 47 - - - -
47 Silver 4.67 14 31.04 14 - - - -
48 Cadmium 3.49 38 34.66 38 61.92 38 - -
49 Indium 7.33 54 31.53 54 29.83 54 32.16 54
50 Tin 7.14 77 16.83 77 17.10 77 20.21 77
51 Antimony 5.41 58 30.98 58 34.61 58 35.00 58
52 Tellurium 8.20 45 35.66 45 46.80 45 22.91 45
53 Iodine 7.23 279 26.28 274 25.90 176 36.55 175
54 Xenon 0.00 1 0.00 1 0.00 1 0.00 1
55 Cesium 6.89 40 37.01 40 35.22 40 55.33 39
56 Barium 12.12 37 98.20 37 154.65 37 161.09 37
57 Lanthanum 10.37 37 - - - - - -
71 Lutetium 7.68 24 - - - - - -
72 Hafnium 8.52 37 21.77 37 - - - -
73 Tantalum 14.37 36 118.90 36 - - - -
74 Tungsten 7.38 28 55.02 28 - - - -
75 Rhenium 10.40 57 90.09 57 - - - -
76 Osmium 6.46 19 24.87 19 - - - -
77 Iridium 10.21 25 23.46 25 - - - -
78 Platinum 11.61 77 20.55 77 - - - -
79 Gold 12.82 32 44.68 32 - - - -
80 Mercury 5.94 51 16.39 51 17.67 51 19.75 51
81 Thallium 10.42 44 32.63 44 73.96 45 73.18 45
82 Lead 7.92 44 18.08 44 14.18 44 16.71 44
83 Bismuth 7.74 53 99.88 53 28.95 53 119.23 53
All elements,
avoiding double counting
8.01 4492 22.19 4431 18.20 3189 22.86 3106
Same as above, but
with double counting
8.1713764 24.1513562 19.98 9492 25.35 9234