		q (O)		q (S)		q (Se)
R₁	R₂	Mulliken	NBO	Mulliken	NBO	Mulliken	NBO
		HF/6-311++G(3df,2p)
H	H	−0.634	−0.579	−0.162	0.047	0.039	0.119
NH₂	H	−0.787	−0.700	−0.452	−0.229	−0.237	−0.214
NH₂	NH₂	−0.946	−0.765	−0.501	−0.364	−0.366	−0.356
		MP2/6-311++G(3df,2p)
H	H	−0.634	−0.590	−0.168	0.033	0.036	0.105
NH₂	H	−0.783	−0.713	−0.441	−0.213	−0.215	−0.182
NH₂	NH₂	−0.933	−0.774	−0.478	−0.331	−0.342	−0.316
		B3PW91/6-311++G(3df,2p)
H	H	−0.499	−0.497	−0.121	0.085	0.033	0.155
NH₂	H	−0.651	−0.608	−0.408	−0.138	−0.228	−0.106
NH₂	NH₂	−0.804	−0.670	−0.459	−0.264	−0.399	−0.256
		B3LYP/6-311++G(3df,2p)
H	H	−0.472	−0.501	−0.119	0.086	0.038	0.152
NH₂	H	−0.625	−0.612	−0.398	−0.136	−0.209	−0.106
NH₂	NH₂	−0.778	−0.674	−0.456	−0.261	−0.385	−0.255
NH(CH₃)	NH(CH₃)	−0.763	−0.675	−0.443	−0.266	−0.414	−0.259