There are four tables:

Table 1. Barrier Heights Calculated by LSDA, GGA, and Meta DFT Methods

Table 2. Barrier Heights Calculated by Hybrid DFT Methods

Table 3  Barrier Heights Calculated by Hybrid Meta DFT Methods

Table 4. Barrier Heights Calculated by Ab Initio WFT Methods

Table 1: Barrier Heights Calculated by LSDA, GGA and Meta DFT Methods^a,b

Reactions		VSXC	BB95	mPWPW91	TPSS	BLYP	SPW91	BP86	TPSSKCIS	PBE	mPWLYP	mPWKCIS
Heavy atom transfer reactions
H + N2O → OH + N2	Vf^≠	16.02	11.65	10.77	8.41	8.94	3.16	8.10	10.97	10.46	8.13	10.39
	Vr^≠	71.18	55.36	55.34	60.37	61.78	32.20	55.87	60.62	52.64	59.91	59.30
H + FH → HF + H	Vf^≠	36.75	29.71	28.57	27.33	26.77	19.40	26.00	29.15	27.98	25.94	28.59
	Vr^≠	36.75	29.71	28.57	27.33	26.77	19.40	26.00	29.15	27.98	25.94	28.59
H + ClH → HCl + H	Vf^≠	17.40	12.25	10.92	8.21	10.57	3.02	8.41	11.59	10.45	10.01	11.38
	Vr^≠	17.40	12.25	10.92	8.21	10.57	3.02	8.41	11.59	10.45	10.01	11.38
H + FCH3 → HF + CH3	Vf^≠	21.79	19.78	18.94	17.35	16.33	13.62	16.25	18.98	18.74	15.56	18.04
	Vr^≠	51.65	41.88	42.48	42.17	42.33	31.78	42.55	42.43	41.14	40.62	43.75
H + F2 → HF + F	Vf^≠	-6.98	-8.87	-9.41	-10.72	-11.49	-15.75	-11.15	-9.10	-9.63	-12.30	-9.99
	Vr^≠	96.18	80.73	81.92	82.97	81.63	68.95	82.24	82.81	80.34	79.90	83.16
CH3 + FCl → CH3F +Cl	Vf^≠	-6.99	-6.23	-5.68	-5.35	-6.94	-11.47	-5.87	-5.95	-6.42	-8.33	-5.85
	Vr^≠	45.59	41.23	43.44	43.93	42.80	36.87	43.05	43.36	42.71	41.52	43.44
Nucleophilic substitution reactions
F- + CH3F →  FCH3 + F-	Vf^≠	-7.63	-6.76	-7.74	-8.93	-7.88	-12.17	-7.57	-8.74	-8.33	-9.48	-7.35
	Vr^≠	-7.63	-6.76	-7.74	-8.93	-7.88	-12.17	-7.57	-8.74	-8.33	-9.48	-7.35
F-∙∙∙CH3F →  FCH3 ∙∙∙ F-	Vf^≠	12.00	6.94	6.53	5.74	6.11	6.28	6.34	5.95	6.66	5.88	6.74
	Vr^≠	12.00	6.94	6.53	5.74	6.11	6.28	6.34	5.95	6.66	5.88	6.74
Cl- + CH3Cl →  ClCH3 + Cl-	Vf^≠	-4.09	-2.59	-3.37	-5.09	-3.88	-6.67	-3.62	-4.52	-3.74	-5.05	-3.18
	Vr^≠	-4.09	-2.59	-3.37	-5.09	-3.88	-6.67	-3.62	-4.52	-3.74	-5.05	-3.18
Cl-∙∙∙CH3Cl →  ClCH3∙∙∙Cl-	Vf^≠	10.83	6.79	6.63	5.26	5.55	6.54	6.13	5.74	6.92	5.40	6.62
	Vr^≠	10.83	6.79	6.63	5.26	5.55	6.54	6.13	5.74	6.92	5.40	6.62
F- + CH3Cl →  FCH3 + Cl-	Vf^≠	-20.29	-17.99	-22.65	-21.14	-24.24	-23.34	-19.17	-20.48	-19.52	-20.73	-18.63
	Vr^≠	12.96	13.38	8.95	13.44	7.97	9.81	13.17	13.17	12.10	11.55	13.00
F-∙∙∙CH3Cl →  FCH3∙∙∙Cl-	Vf^≠	-4.35	-1.38	-0.23	-0.33	-4.27	-1.24	-1.63	-2.23	-0.98	-2.04	-1.21
	Vr^≠	26.59	21.17	17.25	21.99	15.80	21.19	21.14	21.74	21.04	20.42	21.20
OH- + CH3F →  HOCH3 + F-	Vf^≠	-9.58	-8.91	-10.11	-10.84	-9.78	-14.47	-9.65	-10.69	-10.67	-11.41	-9.58
	Vr^≠	10.53	10.86	10.22	8.35	9.59	6.21	10.03	8.61	9.63	8.02	10.46
OH-∙∙∙CH3F →  HOCH3∙∙∙F-	Vf^≠	10.19	3.79	3.17	2.78	3.20	3.05	3.22	3.01	3.37	2.97	3.56
	Vr^≠	39.20	40.93	42.39	40.02	39.80	47.14	42.02	40.00	42.72	39.72	41.32
Unimolecular and Association Reaction
H + N2 →  HN2	Vf^≠	10.27	7.28	5.88	3.27	5.59	-1.85	3.43	6.34	5.57	5.04	6.08
	Vr^≠	11.88	8.64	9.36	8.51	8.58	9.53	9.47	9.15	9.23	8.64	9.37
H + CO  →  HCO	Vf^≠	2.15	-0.49	-1.40	-4.98	-1.93	-7.56	-3.37	-1.49	-1.69	-2.39	-1.41
	Vr^≠	26.23	23.56	24.82	23.71	23.36	26.36	24.99	24.77	24.72	23.45	24.66
H + C2H4 → CH3CH2	Vf^≠	2.66	0.87	0.19	-4.17	-0.61	-5.24	-1.89	-0.29	-0.04	-1.06	0.00
	Vr^≠	43.38	37.71	40.72	40.02	38.29	39.40	40.93	40.90	40.39	38.17	40.40
CH3 + C2H4 → CH3CH2CH2	Vf^≠	3.96	3.00	2.69	3.31	4.75	-5.72	2.69	3.54	1.57	3.41	4.01
	Vr^≠	25.36	26.56	29.15	27.84	24.88	32.97	28.47	27.37	29.72	25.05	27.25
HCN →  HNC	Vf^≠	47.52	45.67	46.33	47.65	47.04	45.16	45.83	47.72	45.95	47.00	46.95
	Vr^≠	33.30	30.77	31.33	32.31	32.10	31.08	31.14	32.17	30.97	32.12	31.78

^aV_f^≠ denotes forward barrier height, and V_r^≠ denotes reverse barrier height.

^bMG3S basis set and QCISD/MG3 geometries are used for all calculations in this table.

Table 2: Barrier Heights Calculated by Hybrid DFT Methods^a,b

Reactions		MPW1K	B97-2	BHandHLYP	mPW1PW91	B98	B97-1	PBE1PBE	X3LYP	B3LYP	O3LYP
Heavy-atom transfer reactions
H + N2O → OH + N2	Vf^≠	17.16	18.69	16.08	14.65	15.43	16.37	14.44	11.74	11.81	12.65
	Vr^≠	81.63	72.36	91.27	71.24	74.10	72.62	68.97	73.01	72.92	66.93
H + FH → HF + H	Vf^≠	39.72	41.01	39.28	35.17	38.10	38.91	34.71	31.79	31.83	32.45
	Vr^≠	39.72	41.01	39.28	35.17	38.10	38.91	34.71	31.79	31.83	32.45
H + ClH → HCl + H	Vf^≠