Table 14. Mean Absolute Errors in Selected Interatomic Distances (Å) and Angles (deg) for the A24-CHNOF, S66, S7L, and AF6 Benchmark Sets for Geometries Optimized with PM7 and OMx-Dn.

		method
			OM2			OM3
subset	N	PM7	D2	D3	D3T	D2	D3	D3T
A24-CHNOF
Selected Interatomic Distances
overall	23	0.375	0.472	0.500	0.500	0.322	0.261	0.262
H-bonded	5	0.365	0.202	0.197	0.198	0.333	0.335	0.335
mixed	13	0.168	0.421	0.413	0.413	0.258	0.324	0.326
dispersion	5	0.926	0.876	1.027	1.027	0.477	0.023	0.023
Selected Angles
overall	40	12.86	14.83	9.86	9.97	12.79	8.69	8.80
H-bonded	13	14.83	11.15	11.39	11.39	11.08	11.07	11.08
mixed	21	7.31	6.57	6.46	6.45	13.01	9.35	9.56
dispersion	6	28.00	51.74	18.46	19.18	15.73	1.19	1.20
S66
Selected Interatomic Distances
overall	172	0.407	0.381	0.348	0.348	0.290	0.320	0.317
electrostatic	28	0.083	0.181	0.173	0.173	0.308	0.333	0.283
mixed	63	0.449	0.433	0.415	0.415	0.303	0.344	0.361
dispersion	81	0.486	0.409	0.356	0.356	0.273	0.297	0.295
Selected Angles
overall	141	15.83	11.68	12.27	12.32	11.32	13.15	12.99
electrostatic	28	6.29	14.41	13.37	13.30	11.83	12.37	9.97
mixed	52	25.14	14.28	14.50	14.54	15.74	18.95	19.73
dispersion	61	12.28	8.22	9.86	9.97	7.32	8.56	8.63
S7L
Selected Interatomic Distances
overall	28	0.325	0.510	0.428	0.420	0.390	0.389	0.393
C···C	20	0.310	0.547	0.433	0.421	0.408	0.467	0.468
H···H	8	0.361	0.419	0.415	0.416	0.345	0.193	0.207
AF6
Selected Interatomic Distances
overall	27	0.090	0.140	0.169	0.168	0.121	0.168	0.165
Selected Angles
overall	74	6.58	5.17	6.48	6.42	6.42	7.05	7.03