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	hartrees
Energy at 0K	-131.686068
Energy at 298.15K
HF Energy	-131.686068
Nuclear repulsion energy	39.523798

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'	3878	3878	57.20	60.66	0.19	0.31
2	A'	3481	3481	0.85	119.96	0.07	0.13
3	A'	1659	1659	15.70	3.75	0.53	0.70
4	A'	1409	1409	28.77	2.64	0.17	0.29
5	A'	1157	1157	130.11	3.08	0.13	0.23
6	A'	1007	1007	15.18	8.85	0.27	0.42
7	A"	3562	3562	5.26	49.72	0.75	0.86
8	A"	1349	1349	0.21	1.96	0.75	0.86
9	A"	409	409	168.05	0.21	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.010	0.696	0.000
O2	-0.010	-0.728	0.000
H3	-0.947	-0.949	0.000
H4	0.552	0.948	0.812
H5	0.552	0.948	-0.812

	N1	O2	H3	H4	H5
N1		1.4241	1.8930	1.0196	1.0196
O2	1.4241		0.9622	1.9454	1.9454
H3	1.8930	0.9622		2.5504	2.5504
H4	1.0196	1.9454	2.5504		1.6247
H5	1.0196	1.9454	2.5504	1.6247

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	103.279		O2	N1	H4	104.291
O2	N1	H5	104.291		H4	N1	H5	105.633

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: M06-2X/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	-0.094
2	O	-0.487
3	H	0.358
4	H	0.111
5	H	0.111

	x	y	z	Total
	0.108	0.556	0.000	0.567
CHELPG
AIM
ESP

	x	y	z
x	2.592	0.251	0.000
y	0.251	3.122	0.000
z	0.000	0.000	2.437

<r²>	20.673
(<r²>)^1/2	4.547

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: M06-2X/daug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)