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	hartrees
Energy at 0K	-131.669571
Energy at 298.15K
HF Energy	-131.669571
Nuclear repulsion energy	39.472310

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'	3819	3621	30.31	64.52	0.31	0.47
2	A'	3465	3285	2.89	106.18	0.13	0.22
3	A'	1726	1637	17.93	12.39	0.57	0.73
4	A'	1458	1382	23.49	5.10	0.74	0.85
5	A'	1200	1138	149.52	3.09	0.74	0.85
6	A'	994	943	12.91	11.52	0.18	0.31
7	A"	3559	3375	0.82	63.06	0.75	0.86
8	A"	1371	1300	0.01	10.16	0.75	0.86
9	A"	430	408	197.29	4.77	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.011	0.699	0.000
O2	-0.011	-0.730	0.000
H3	-0.955	-0.932	0.000
H4	0.560	0.940	0.809
H5	0.560	0.940	-0.809

	N1	O2	H3	H4	H5
N1		1.4284	1.8845	1.0191	1.0191
O2	1.4284		0.9652	1.9411	1.9411
H3	1.8845	0.9652		2.5403	2.5403
H4	1.0191	1.9411	2.5403		1.6184
H5	1.0191	1.9411	2.5403	1.6184

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	102.124		O2	N1	H4	103.684
O2	N1	H5	103.684		H4	N1	H5	105.126

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: mPW1PW91/6-31G*

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	-0.528
2	O	-0.564
3	H	0.426
4	H	0.333
5	H	0.333

	x	y	z	Total
	0.161	0.554	0.000	0.577
CHELPG
AIM
ESP

	x	y	z
x	1.631	0.450	0.000
y	0.450	2.167	0.000
z	0.000	0.000	1.588

<r²>	20.340
(<r²>)^1/2	4.510

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: mPW1PW91/6-31G*

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)