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	hartrees
Energy at 0K	-130.938953
Energy at 298.15K
HF Energy	-130.938953
Nuclear repulsion energy	38.115187

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'	3543	3364	7.02	77.78	0.35	0.51
2	A'	3333	3165	1.89	114.69	0.13	0.24
3	A'	1710	1624	16.68	16.16	0.54	0.70
4	A'	1401	1330	24.51	9.16	0.72	0.84
5	A'	1126	1069	137.13	3.90	0.73	0.84
6	A'	938	890	16.59	15.38	0.12	0.21
7	A"	3439	3266	4.66	63.17	0.75	0.86
8	A"	1285	1220	0.00	13.31	0.75	0.86
9	A"	410	389	232.73	10.24	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.010	0.735	0.000
O2	-0.010	-0.764	0.000
H3	-0.985	-0.941	0.000
H4	0.565	0.956	0.826
H5	0.565	0.956	-0.826

	N1	O2	H3	H4	H5
N1		1.4991	1.9386	1.0305	1.0305
O2	1.4991		0.9912	1.9935	1.9935
H3	1.9386	0.9912		2.5854	2.5854
H4	1.0305	1.9935	2.5854		1.6524
H5	1.0305	1.9935	2.5854	1.6524

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	100.242		O2	N1	H4	102.428
O2	N1	H5	102.428		H4	N1	H5	106.596

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: mPW1PW91/3-21G*

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	-0.499
2	O	-0.481
3	H	0.373
4	H	0.304
5	H	0.304

	x	y	z	Total
	0.217	0.643	0.000	0.679
CHELPG
AIM
ESP

	x	y	z
x	1.420	0.572	0.000
y	0.572	2.067	0.000
z	0.000	0.000	1.300

<r²>	21.164
(<r²>)^1/2	4.600

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: mPW1PW91/3-21G*

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)