Table 2. MAD (kcal/mol) and MSD (kcal/mol) Values of Four Subcategories and the Full S66 Set and RG18 Subset for HF-SCANn-D4 and SCANn-D4.

	hydrogen bond systems 1–23		π-stacking systems 24–33		London dispersion systems 34–46		mixed-influence systems 47–66		full S66		RG18
functionals	MAD	MSD	MAD	MSD	MAD	MSD	MAD	MSD	MAD	MSD	MAD	MSD
HF-SCAN-D4	0.21	0.09	0.57	0.57	0.47	–0.45	0.23	0.02	0.32	0.03	0.05	0.01
SCAN-D4	0.73	0.73	0.10	–0.03	0.34	–0.34	0.23	0.01	0.41	0.19	0.14	0.09
HF-SCAN10-D4	0.31	0.24	0.44	0.44	0.44	–0.42	0.24	0.07	0.33	0.09	0.06	–0.01
SCAN10-D4	0.79	0.79	0.08	–0.01	0.23	–0.22	0.20	0.10	0.39	0.26	0.11	0.06
HF-SCAN0-D4	0.45	0.42	0.26	0.26	0.41	–0.41	0.25	0.11	0.35	0.14	0.06	–0.04
SCAN0-D4	0.84	0.84	0.08	–0.02	0.16	–0.14	0.23	0.18	0.41	0.32	0.08	0.01
HF-SCAN38-D4	0.59	0.58	0.15	0.15	0.37	–0.37	0.28	0.16	0.39	0.20	0.07	–0.05
SCAN38-D4	0.89	0.89	0.10	–0.05	0.14	–0.11	0.27	0.22	0.43	0.35	0.06	–0.02
HF-SCAN50-D4	0.79	0.79	0.13	0.13	0.28	–0.26	0.32	0.26	0.45	0.32	0.08	–0.06
SCAN50-D4	0.98	0.98	0.10	–0.03	0.11	–0.06	0.32	0.29	0.48	0.42	0.06	–0.04
HF-SCAN	0.51	–0.45	1.38	–1.38	2.06	–2.06	0.94	–0.94	1.08	–1.06	0.20	–0.20
SC-SCAN	0.57	0.40	1.24	–1.24	1.45	–1.45	0.71	–0.62	0.89	–0.53	0.22	–0.03
HF-SCAN0	0.39	–0.15	1.75	–1.75	2.08	–2.08	0.91	–0.88	1.09	–0.99	0.25	–0.25
SC-SCAN0	0.57	0.36	1.73	–1.73	1.72	–1.72	0.80	–0.72	1.04	–0.70	0.19	–0.16