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	hartrees
Energy at 0K	-131.685186
Energy at 298.15K
HF Energy	-131.685186
Nuclear repulsion energy	39.476959

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'	3830	3670	42.59	57.96	0.30	0.46
2	A'	3443	3299	2.11	107.85	0.11	0.20
3	A'	1675	1605	11.90	9.00	0.57	0.73
4	A'	1418	1359	23.56	3.57	0.74	0.85
5	A'	1168	1120	124.17	2.31	0.75	0.86
6	A'	978	937	11.95	11.31	0.18	0.31
7	A"	3523	3376	0.15	63.39	0.75	0.86
8	A"	1349	1292	0.02	7.52	0.75	0.86
9	A"	398	382	172.03	4.29	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.012	0.697	0.000
O2	-0.012	-0.729	0.000
H3	-0.955	-0.930	0.000
H4	0.569	0.941	0.807
H5	0.569	0.941	-0.807

	N1	O2	H3	H4	H5
N1		1.4260	1.8807	1.0237	1.0237
O2	1.4260		0.9644	1.9438	1.9438
H3	1.8807	0.9644		2.5448	2.5448
H4	1.0237	1.9438	2.5448		1.6137
H5	1.0237	1.9438	2.5448	1.6137

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	102.033		O2	N1	H4	103.811
O2	N1	H5	103.811		H4	N1	H5	104.027

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: mPW1PW91/cc-pVDZ

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	-0.107
2	O	-0.287
3	H	0.175
4	H	0.110
5	H	0.110

	x	y	z	Total
	0.107	0.549	0.000	0.560
CHELPG
AIM
ESP

	x	y	z
x	1.694	0.447	0.000
y	0.447	2.222	0.000
z	0.000	0.000	1.582

<r²>	20.263
(<r²>)^1/2	4.501

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)