Table 3.

Dipole moment error statistics (atomic units) using 52 data points.

Functional	Model	μSE	σSE	μUE	σUE	Max.
Errors relative to standard MP2(FULL)∕6-31G* calculations. Avg. = 0.539 a.u.
SVWN5	Std.	−0.032	0.089	0.048	0.081	−0.425	CN
SVWN5	VE	−0.039	0.100	0.055	0.092	−0.457	CN
PBE	Std.	−0.042	0.081	0.048	0.078	−0.421	CN
PBE	VE	−0.050	0.094	0.057	0.090	−0.483	CN
HCTH147	Std.	−0.039	0.074	0.044	0.071	−0.394	CN
HCTH147	VE	−0.046	0.087	0.054	0.082	−0.474	CN
τ-HCTH	Std.	−0.044	0.077	0.049	0.073	−0.368	CN
τ-HCTH	VE	−0.045	0.083	0.054	0.077	−0.469	CN
M06L	Std.	−0.018	0.054	0.029	0.049	−0.275	CN
M06L	VE	−0.042	0.087	0.052	0.081	−0.491	CN
Errors relative to standard PBE∕6-31G* calculations. Avg. = 0.496 a.u.
PBE	VE	−0.007	0.019	0.012	0.016	−0.076	LiH
PBE	VE0	−0.005	0.024	0.015	0.019	−0.076	LiH
PBE	VE1	0.120	0.571	0.373	0.449	1.847	HOCl