Table 4. Calculated and Experimental Dipole Moments (D).

molecule	1.14*CM1A	1.27*CM5	1.00*CM5	exptl.a
methanol	2.03	2.20	1.67	1.70
chloromethane	2.14	2.27	1.79	1.89
methylamine	1.95	1.74	1.29	1.31
methanethiol	1.74	1.86	1.44	1.52
dimethyl ether	1.88	2.11	1.54	1.30
dimethyl sulfide	1.91	2.01	1.49	1.55
acetonitrile	4.30	4.92	3.88	3.92
dimethylamine	1.81	1.66	1.13	1.01
propene	0.28	0.49	0.38	0.37
acetone	3.29	3.74	2.93	2.88
acetaldehyde	3.01	3.45	2.71	2.75
acetic acid	2.04	2.11	1.67	1.70
methyl acetate	2.23	2.40	1.90	1.72
methyl formate	1.97	2.29	1.83	1.77
acetamide	3.73	4.81	3.71	3.76
(Z)-N-methylacetamide	3.73	4.85	3.77	3.80b
(E)-N-methylacetamide	4.30	5.18	4.04	4.17e
N,N-dimethylacetamide	4.27	5.22	3.99	3.82
nitroethane	5.25	4.80	3.80	3.23
dimethyl sulfoxide	5.05	5.76	4.46	3.96
fluorobenzene	1.76	2.09	1.65	1.60
chlorobenzene	1.95	2.02	1.59	1.69
bromobenzene	1.82	2.41	1.90	1.70
benzonitrile	4.89	5.84	4.60	4.18
toluene	0.35	0.58	0.46	0.38
trifluorotoluene	2.97	3.32	2.61	2.86
phenol	1.86	1.87	1.28	1.22
anisole	1.78	2.00	1.39	1.38
aniline	1.60	2.36	1.86	1.13
N-methylaniline	1.75	2.60	2.06
N,N-dimethylaniline	1.89	2.72	2.17	1.68
nitrobenzene	6.57	5.76	4.53	4.22
acetophenone	3.60	4.01	2.99	3.02
benzamide	4.02	4.90	3.53	3.55c
α-methylstyrene	0.37	0.56	0.42
methyl benzoate	2.49	2.44	1.82	[1.94]
thiophenol	1.48	1.51	1.13	1.13c
thioanisole	1.92	2.05	1.56	[1.31]d
pyridine	1.75	2.55	2.01	2.22
mean unsigned error			0.16

^aGas-phase values from ref (55). Brackets indicate dipole moments estimated in solution.

^bRef (56).

^cRef (57).

^dRef⁵⁸.

^eRef (24), theoretically estimated.