Table 2.

Angle error statistics (degrees) using 98 data points.

Functional	Model	μSE	σSE	μUE	σUE	Max.
Errors relative to standard MP2(FULL)∕6-31G* calculations. Avg. = 112.745°
SVWN5	Std.	−0.009	0.863	0.531	0.681	3.143	CH2
SVWN5	VE	0.013	0.967	0.636	0.729	3.832	CH2
PBE	Std.	−0.199	0.642	0.416	0.528	−2.146	PH3
PBE	VE	−0.205	0.821	0.554	0.640	2.596	CH2
HCTH147	Std.	−0.161	0.624	0.402	0.503	2.460	CH2
HCTH147	VE	−0.201	0.809	0.567	0.611	−2.399	NH2
τ-HCTH	Std.	−0.170	0.639	0.436	0.497	−1.997	NH2
τ-HCTH	VE	−0.236	0.764	0.536	0.593	−2.591	NH2
M06L	Std.	−0.188	0.520	0.385	0.396	−1.706	PH3
M06L	VE	−0.321	0.943	0.670	0.737	−2.899	PH3
Errors relative to standard PBE∕6-31G* calculations. Avg. = 112.5°
PBE	VE	−0.006	0.340	0.177	0.290	2.229	CH4S
PBE	VE0	−0.629	1.152	0.858	0.993	−3.940	CH4O
PBE	VE1	0.785	16.155	10.666	12.159	78.425	HOCl