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	hartrees
Energy at 0K	-131.514017
Energy at 298.15K
HF Energy	-131.514017
Nuclear repulsion energy	38.705984

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3692	3529	17.53	77.52	0.32	0.49
2	A'	3476	3323	0.59	114.60	0.13	0.23
3	A'	1715	1640	22.99	13.87	0.59	0.74
4	A'	1399	1338	35.36	6.81	0.70	0.82
5	A'	1098	1050	162.09	4.75	0.75	0.86
6	A'	864	826	30.11	17.72	0.12	0.21
7	A"	3607	3448	0.02	57.47	0.75	0.86
8	A"	1305	1247	0.29	12.15	0.75	0.86
9	A"	475	454	266.86	9.51	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.006	0.717	0.000
O2	-0.006	-0.750	0.000
H3	-0.954	-0.974	0.000
H4	0.519	0.980	0.833
H5	0.519	0.980	-0.833

	N1	O2	H3	H4	H5
N1		1.4671	1.9392	1.0187	1.0187
O2	1.4671		0.9749	1.9904	1.9904
H3	1.9392	0.9749		2.5850	2.5850
H4	1.0187	1.9904	2.5850		1.6660
H5	1.0187	1.9904	2.5850	1.6660

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	103.295		O2	N1	H4	104.960
O2	N1	H5	104.960		H4	N1	H5	109.715

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: PBE1PBE/6-31G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	N	-0.507
2	O	-0.547
3	H	0.401
4	H	0.326
5	H	0.326

	x	y	z	Total
	0.103	0.758	0.000	0.765
CHELPG
AIM
ESP

	x	y	z
x	1.460	0.512	0.000
y	0.512	2.244	0.000
z	0.000	0.000	1.405

<r²>	21.056
(<r²>)^1/2	4.589

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: PBE1PBE/6-31G

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)