Average Errors in Heat of Formation, per Element

Set	PM6-ORG	No. in set	PM6-D3H4	No. in set	PM6-D3H4X	No. in set	PM6	No. in set	PM7	No. in set
1 Hydrogen	3.58	1495	10.82	1495	11.17	1495	4.36	1495	3.78	1495
6 Carbon	3.63	1535	10.70	1535	10.80	1535	4.39	1535	3.86	1535
7 Nitrogen	3.93	537	9.08	537	9.43	537	4.70	537	4.02	537
8 Oxygen	4.01	803	9.89	803	14.19	803	5.05	803	4.28	803
9 Fluorine	5.22	170	6.98	170	11.42	170	6.19	170	6.27	170
15 Phosphorus	6.05	74	10.69	74	10.79	74	7.10	74	9.80	74
16 Sulfur	4.40	171	10.06	171	10.15	171	5.70	171	4.55	171
17 Chlorine	3.60	128	5.82	128	32.47	128	5.01	128	4.73	128
35 Bromine	3.65	43	7.91	43	10.20	43	5.16	43	4.47	43
53 Iodine	2.10	48	5.88	48	6.22	48	3.51	48	2.84	48
All elements, avoiding double counting	3.88	1690	10.50	1690	12.59	1690	4.77	1690	4.22	1690
Same as above, but with double counting	3.81	5004	10.09	5004	11.81	5004	4.68	5004	4.13	5004

Average Unsigned Errors in Predicted Heat of Formation (kcal/mol) (Individual Species)