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	hartrees
Energy at 0K	-131.673626
Energy at 298.15K
HF Energy	-131.673626
Nuclear repulsion energy	38.867272

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'	3715	3715	31.30	68.09	0.19	0.33
2	A'	3335	3335	6.82	136.80	0.07	0.14
3	A'	1615	1615	11.60	5.12	0.50	0.67
4	A'	1368	1368	20.61	3.86	0.11	0.20
5	A'	1134	1134	109.72	1.76	0.05	0.10
6	A'	865	865	12.86	9.34	0.24	0.39
7	A"	3421	3421	0.06	61.50	0.75	0.86
8	A"	1300	1300	0.01	2.47	0.75	0.86
9	A"	387	387	151.15	0.03	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.012	0.715	0.000
O2	-0.012	-0.745	0.000
H3	-0.961	-0.943	0.000
H4	0.572	0.947	0.813
H5	0.572	0.947	-0.813

	N1	O2	H3	H4	H5
N1		1.4596	1.9101	1.0273	1.0273
O2	1.4596		0.9693	1.9652	1.9652
H3	1.9101	0.9693		2.5653	2.5653
H4	1.0273	1.9652	2.5653		1.6250
H5	1.0273	1.9652	2.5653	1.6250

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	101.793		O2	N1	H4	103.028
O2	N1	H5	103.028		H4	N1	H5	104.545

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: B97D3/daug-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	-0.223
2	O	-0.454
3	H	0.368
4	H	0.154
5	H	0.154

	x	y	z	Total
	0.150	0.550	0.000	0.570
CHELPG
AIM
ESP

	x	y	z
x	2.898	0.248	0.000
y	0.248	3.428	0.000
z	0.000	0.000	2.695

<r²>	21.202
(<r²>)^1/2	4.605

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: B97D3/daug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)