. Author manuscript; available in PMC: 2009 Jun 8.

Published in final edited form as: J Chem Phys. 2005 Jul 22;123(4):044109. doi: 10.1063/1.1947192

TABLE I.

Dipole moments for several molecules.

	ab initio	A1	P1	g03	A1^a	P1^a	g03^a
LiH	5.547	5.666	5.706	5.654	5.540	5.639	5.647
HF	1.843	1.873	1.818	1.835	1.842	1.847	1.841
CO	0.033	0.016	0.005	0.041	0.035	0.048	0.038
NH₃	1.845	1.884	1.967	1.902	1.907	1.900	1.895
H₂O	2.096	2.087	2.157	2.097	2.109	2.101	2.095
CH₃SH	1.738	1.463	1.710	1.749	1.575	1.729	1.744
formate	0.820	0.845	0.856	0.813	0.827	0.787	0.823

Using midpoints with heavy-atom ABS on H-X bonds. All dipole moments in Debye.