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	hartrees
Energy at 0K	-131.779584
Energy at 298.15K
HF Energy	-131.779584
Nuclear repulsion energy	39.209591

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'	3807	3807	43.15	65.33	0.19	0.32
2	A'	3441	3441	1.83	125.90	0.07	0.14
3	A'	1663	1663	14.51	4.25	0.52	0.69
4	A'	1391	1391	26.57	3.11	0.14	0.25
5	A'	1141	1141	122.81	2.06	0.09	0.16
6	A'	923	923	13.25	10.82	0.26	0.41
7	A"	3518	3518	2.69	54.55	0.75	0.86
8	A"	1325	1325	0.09	2.07	0.75	0.86
9	A"	413	413	164.28	0.13	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.010	0.707	0.000
O2	-0.010	-0.738	0.000
H3	-0.948	-0.951	0.000
H4	0.549	0.954	0.812
H5	0.549	0.954	-0.812

	N1	O2	H3	H4	H5
N1		1.4449	1.9045	1.0163	1.0163
O2	1.4449		0.9620	1.9581	1.9581
H3	1.9045	0.9620		2.5548	2.5548
H4	1.0163	1.9581	2.5548		1.6242
H5	1.0163	1.9581	2.5548	1.6242

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	102.762		O2	N1	H4	104.061
O2	N1	H5	104.061		H4	N1	H5	106.087

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: B3LYP/daug-cc-pVTZ

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	-0.084
2	O	-0.762
3	H	0.359
4	H	0.243
5	H	0.243

	x	y	z	Total
	0.114	0.581	0.000	0.592
CHELPG
AIM
ESP

	x	y	z
x	2.732	0.244	0.000
y	0.244	3.306	0.000
z	0.000	0.000	2.563

<r²>	20.981
(<r²>)^1/2	4.580

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: B3LYP/daug-cc-pVTZ

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)