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	hartrees
Energy at 0K	-131.649670
Energy at 298.15K
HF Energy	-131.649670
Nuclear repulsion energy	38.952091

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'	3728	3728	22.26	57.97	0.28	0.44
2	A'	3331	3331	4.38	104.87	0.11	0.20
3	A'	1638	1638	11.35	10.73	0.50	0.67
4	A'	1400	1400	19.06	3.80	0.75	0.85
5	A'	1163	1163	118.80	2.06	0.73	0.85
6	A'	878	878	10.36	9.94	0.18	0.31
7	A"	3415	3415	1.77	59.68	0.75	0.86
8	A"	1309	1309	0.09	8.23	0.75	0.86
9	A"	373	373	147.88	3.21	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.013	0.714	0.000
O2	-0.013	-0.744	0.000
H3	-0.961	-0.930	0.000
H4	0.577	0.942	0.808
H5	0.577	0.942	-0.808

	N1	O2	H3	H4	H5
N1		1.4572	1.8973	1.0259	1.0259
O2	1.4572		0.9666	1.9598	1.9598
H3	1.8973	0.9666		2.5536	2.5536
H4	1.0259	1.9598	2.5536		1.6154
H5	1.0259	1.9598	2.5536	1.6154

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	101.088		O2	N1	H4	102.848
O2	N1	H5	102.848		H4	N1	H5	103.873

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: B97D3/6-31G(2df,p)

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	-0.388
2	O	-0.419
3	H	0.304
4	H	0.252
5	H	0.252

	x	y	z	Total
	0.136	0.501	0.000	0.519
CHELPG
AIM
ESP

	x	y	z
x	1.952	0.429	0.000
y	0.429	2.480	0.000
z	0.000	0.000	1.888

<r²>	20.671
(<r²>)^1/2	4.547

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: B97D3/6-31G(2df,p)

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)