Average Errors in Predicted Ionization Potential (eV) (Back)
(Individual Species)

Set	PM7	No. in set	PM6	No. in set	RM1	No. in set	PM3	No. in set	AM1	No. in set	MNDOD	No. in set	MNDO	No. in set
1 Hydrogen	0.49	226	0.42	226	0.34	154	0.60	226	0.52	217	0.55	196	0.80	226
3 Lithium	0.50	11	0.86	11	-	-	1.29	11	0.59	11	1.25	9	0.92	11
4 Beryllium	0.72	6	0.55	6	-	-	0.92	6	0.45	6	0.63	6	0.30	6
5 Boron	0.42	11	0.32	11	-	-	1.01	11	-	-	0.85	10	0.96	11
6 Carbon	0.48	230	0.41	230	0.36	169	0.54	230	0.54	227	0.51	205	0.79	230
7 Nitrogen	0.50	43	0.59	43	0.45	40	0.53	43	0.48	42	0.59	42	0.58	43
8 Oxygen	0.58	72	0.62	72	0.57	63	0.63	72	0.69	69	0.72	67	0.76	72
9 Fluorine	0.65	67	0.64	67	0.55	48	0.70	68	0.86	66	0.58	59	0.74	68
11 Sodium	0.77	3	0.23	3	-	-	0.89	3	0.39	2	0.73	3	0.75	3
12 Magnesium	0.79	4	0.97	4	-	-	1.10	4	1.41	4	1.08	4	1.37	4
13 Aluminum	0.57	3	0.62	3	-	-	0.41	4	1.01	4	0.52	3	1.19	4
14 Silicon	0.38	11	0.43	11	-	-	0.70	11	0.68	11	1.00	11	0.87	11
15 Phosphorus	0.78	13	0.46	13	0.42	12	0.64	13	0.56	13	0.65	13	1.25	13
16 Sulfur	0.53	46	0.53	46	0.58	45	0.45	46	0.61	46	0.65	45	0.64	46
17 Chlorine	0.47	61	0.43	61	0.59	26	0.57	60	0.61	57	0.61	44	1.18	60
19 Potassium	0.89	3	0.25	3	-	-	0.69	3	0.34	2	-	-	0.21	3
20 Calcium	0.52	1	0.73	1	-	-	0.52	1	0.41	1	-	-	0.16	1
22 Titanium	0.29	1	0.09	1	-	-	-	-	-	-	-	-	-	-
30 Zinc	0.47	5	0.31	5	-	-	0.98	5	0.49	5	0.65	5	1.09	5
31 Gallium	0.15	3	0.51	3	-	-	1.28	3	1.16	3	-	-	1.11	3
32 Germanium	0.85	13	0.70	13	-	-	0.93	13	1.05	13	-	-	1.44	13
33 Arsenic	0.61	5	0.69	5	-	-	0.62	5	0.78	5	-	-	1.07	5
34 Selenium	0.75	10	0.38	10	-	-	0.47	10	1.22	10	-	-	0.44	10
35 Bromine	0.33	33	0.28	33	-	-	1.20	33	0.48	32	0.36	22	0.95	33
37 Rubidium	0.55	3	0.18	3	-	-	0.93	3	0.22	3	-	-	0.50	3
38 Strontium	0.75	1	0.63	1	-	-	0.14	1	0.26	1	-	-	0.00	1
48 Cadmium	0.75	5	0.33	5	-	-	0.39	5	-	-	0.52	5	0.57	5
49 Indium	0.33	2	0.64	2	-	-	2.06	2	0.83	2	-	-	1.18	2
50 Tin	0.84	14	0.70	14	-	-	1.22	14	0.44	14	-	-	1.68	14
51 Antimony	0.56	5	0.45	5	-	-	1.17	5	0.54	5	-	-	1.17	5
52 Tellurium	0.92	3	0.43	3	-	-	0.25	3	0.70	3	-	-	0.90	3
53 Iodine	0.40	29	0.47	29	0.21	13	0.48	29	0.89	29	0.32	20	1.03	29
55 Cesium	0.60	4	0.58	4	-	-	0.99	5	1.28	5	-	-	0.96	5
56 Barium	0.42	1	0.08	1	-	-	0.08	1	0.75	1	-	-	1.28	1
80 Mercury	0.69	12	0.51	12	-	-	0.74	12	0.49	12	0.45	12	1.07	12
81 Thallium	0.73	3	0.30	3	-	-	0.85	3	0.53	3	-	-	0.53	3
82 Lead	0.89	13	0.53	13	-	-	0.98	13	0.65	13	-	-	1.36	13
83 Bismuth	0.75	5	0.99	5	-	-	0.62	5	1.66	5	-	-	0.51	5
All elements, avoiding double counting	0.54	380	0.50	380	0.44	214	0.67	380	0.63	364	0.60	295	0.85	380
Same as above, but with double counting	0.53	981	0.48	981	0.43	570	0.65	982	0.61	942	0.58	781	0.85	982

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