Table 3.

Angles (in degree) between the QM dipole and the dipoles computed from atomic charges.

	Löwdin	Mulliken	Becke	Hirshfeld	Hirshfeld-I	CM5	NPA	CHELPG	MK-ESP
acetic acid	2.74	7.49	2.29	2.74	2.48	0.35	4.62	0.29	0.16
adenine	12.06	10.23	20.96	18.58	5.28	4.98	7.77	1.81	2.30
alanine	1.50	2.33	9.29	2.40	5.22	2.03	1.89	1.14	0.75
ammonia	0.32	0.00	0.00	0.00	0.00	0.00	0.00	0.01	0.14
ethanol	11.96	17.19	6.13	9.27	8.22	2.68	20.75	1.49	1.08
formamide	1.53	7.47	6.32	1.37	2.89	2.05	10.31	0.38	0.55
formic acid	7.19	13.69	19.24	7.30	2.16	1.13	25.06	1.15	1.09
indole	2.44	17.49	6.30	3.80	0.94	3.44	3.58	0.08	0.03
methanal	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.05	0.00
methanol	9.22	16.00	10.94	5.05	6.28	1.26	19.06	1.33	1.04
methyl ether	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.08	0.00
mNA	2.12	9.10	4.94	6.71	2.08	0.32	6.78	0.82	0.98
pNA	1.36	0.85	1.56	4.28	1.41	0.18	0.24	0.64	0.74
thymine	1.67	12.35	4.78	1.60	1.79	2.13	4.11	0.69	0.33
uracil	2.56	10.94	9.15	2.32	2.76	1.20	6.63	0.40	0.27
valine	1.54	3.22	18.98	6.30	7.19	2.44	4.23	0.67	0.19
water	0.10	0.08	0.48	0.40	0.03	0.03	0.22	0.02	0.12
Average	3.43	7.55	7.14	4.24	2.87	1.42	6.78	0.65	0.57