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	hartrees
Energy at 0K	-131.709792
Energy at 298.15K
HF Energy	-131.709792
Nuclear repulsion energy	39.530018

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'	3887	3678	54.49	57.25	0.29	0.45
2	A'	3493	3305	0.48	98.37	0.11	0.20
3	A'	1688	1597	22.74	7.94	0.71	0.83
4	A'	1407	1331	30.83	3.22	0.67	0.80
5	A'	1150	1088	142.44	3.05	0.35	0.52
6	A'	1007	953	18.31	12.79	0.23	0.38
7	A"	3578	3386	2.80	53.33	0.75	0.86
8	A"	1349	1276	0.05	8.11	0.75	0.86
9	A"	438	415	209.85	2.22	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.009	0.696	0.000
O2	-0.009	-0.729	0.000
H3	-0.946	-0.946	0.000
H4	0.543	0.953	0.813
H5	0.543	0.953	-0.813

	N1	O2	H3	H4	H5
N1		1.4255	1.8905	1.0160	1.0160
O2	1.4255		0.9611	1.9488	1.9488
H3	1.8905	0.9611		2.5467	2.5467
H4	1.0160	1.9488	2.5467		1.6255
H5	1.0160	1.9488	2.5467	1.6255

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	103.036		O2	N1	H4	104.664
O2	N1	H5	104.664		H4	N1	H5	106.256

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: M06-2X/TZVP

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	-0.375
2	O	-0.399
3	H	0.305
4	H	0.234
5	H	0.234

	x	y	z	Total
	0.082	0.647	0.000	0.652
CHELPG
AIM
ESP

	x	y	z
x	1.967	0.334	0.000
y	0.334	2.477	0.000
z	0.000	0.000	1.875

<r²>	20.603
(<r²>)^1/2	4.539

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: M06-2X/TZVP

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)