Average Errors in Ionization Potential (eV )

     Element PM6 No. in setPM5No. in set PM3 No. in set AM1 No. in set
  1 Hydrogen 0.43 226 0.40 226 0.60 226 0.52 217
  3 Lithium 0.89 12 0.88 12 1.29 12 0.59 12
  4 Beryllium 0.52 7 0.29 7 0.93 7 0.45 7
  5 Boron 0.31 11 0.34 11 1.01 11 - -
  6 Carbon 0.41 230 0.39 230 0.54 230 0.54 227
  7 Nitrogen 0.55 43 0.45 43 0.53 43 0.48 42
  8 Oxygen 0.62 72 0.56 72 0.63 72 0.69 69
  9 Fluorine 0.64 67 0.65 67 0.74 67 0.85 65
11 Sodium 0.34 5 0.34 5 1.43 5 0.51 4
12 Magnesium 0.97 4 1.05 4 1.10 4 1.41 4
13 Aluminium 0.62 3 0.29 3 0.40 3 0.69 3
14 Silicon 0.43 11 0.81 11 0.70 11 0.68 11
15 Phosphorus 0.49 13 0.47 13 0.64 13 0.56 13
16 Sulfur 0.52 46 0.51 46 0.48 46 0.62 46
17 Chlorine 0.48 62 0.58 62 0.57 60 0.61 57
19 Potassium 0.23 4 0.50 4 0.54 4 0.34 3
20 Calcium 0.74 1 1.24 1 0.52 1 0.41 1
21 Scandium 3.73 1 4.94 1 - - - -
22 Titanium 0.09 1 1.72 1 - - - -
30 Zinc 0.32 5 0.35 5 0.99 5 0.49 5
31 Gallium 0.52 3 0.73 3 1.28 3 1.16 3
32 Germanium 0.70 13 0.49 13 0.93 13 1.05 13
33 Arsenic 0.69 5 0.31 5 0.62 5 0.79 5
34 Selenium 0.38 10 0.29 10 0.47 10 1.22 10
35 Bromine 0.28 33 0.39 33 1.20 33 0.49 32
37 Rubidium 0.18 3 0.39 3 0.93 3 0.22 3
38 Strontium 0.63 1 0.38 1 0.14 1 0.26 1
48 Cadmium 0.33 5 0.46 5 0.39 5 - -
49 Indium 0.63 2 0.86 2 2.06 2 0.83 2
50 Tin 0.70 14 0.48 14 1.22 14 0.44 14
51 Antimony 0.44 5 0.90 5 1.16 5 0.54 5
52 Tellurium 0.43 3 0.20 3 0.25 3 0.70 3
53 Iodine 0.47 29 0.46 29 0.48 29 0.89 29
55 Cesium 0.58 4 0.71 4 1.37 4 1.11 4
56 Barium 0.08 1 0.97 1 0.08 1 0.75 1
80 Mercury 0.51 12 0.43 12 0.74 12 0.49 12
81 Thallium 0.30 3 0.46 3 0.80 3 0.53 3
82 Lead 0.56 13 0.47 13 0.93 13 0.65 13
83 Bismuth 0.98 5 1.28 5 0.72 5 1.66 5
All elements,
avoiding double counting
0.50 385 0.50 385 0.68 383 0.63 367
Same as above, but
with double counting
0.48 988 0.48 988 0.66 984 0.61 944