Table 1.

Bond length error statistics (Å) using 114 data points.

Functional	Model	μSE	σSE	μUE	σUE	Max.
Errors relative to standard MP2(FULL)∕6-31G* calculations. Avg. = 1.312 Å
SVWN5	Std.	0.006	0.022	0.017	0.016	−0.162	Na2
SVWN5	VE	0.006	0.022	0.017	0.016	−0.159	Na2
PBE	Std.	0.010	0.013	0.013	0.009	−0.080	Na2
PBE	VE	0.012	0.013	0.015	0.009	−0.071	Na2
HCTH147	Std.	0.005	0.010	0.009	0.007	0.044	CN
HCTH147	VE	0.006	0.010	0.010	0.007	0.046	CN
τ-HCTH	Std.	0.003	0.010	0.008	0.007	0.042	CN
τ-HCTH	VE	0.007	0.011	0.011	0.008	0.048	Na2
M06L	Std.	−0.002	0.010	0.007	0.008	−0.047	Li2
M06L	VE	0.010	0.021	0.018	0.014	0.105	Li2
Errors relative to standard PBE∕6-31G* calculations. Avg. = 1.322 Å
PBE	VE	0.002	0.002	0.002	0.001	0.009	Na2
PBE	VE0	−0.013	0.014	0.014	0.013	−0.078	C2H6
PBE	VE1	−0.473	0.199	0.473	0.199	−1.339	Na2