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	hartrees
Energy at 0K	-131.700880
Energy at 298.15K
HF Energy	-131.700880
Nuclear repulsion energy	39.502337

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'	3894	3728	47.48	58.15	0.19	0.32
2	A'	3483	3334	2.14	113.82	0.07	0.14
3	A'	1659	1588	13.62	4.45	0.52	0.68
4	A'	1408	1348	29.45	2.35	0.22	0.36
5	A'	1152	1103	128.47	2.83	0.15	0.27
6	A'	993	950	15.60	9.29	0.24	0.38
7	A"	3569	3417	2.47	49.95	0.75	0.86
8	A"	1348	1290	0.10	2.39	0.75	0.86
9	A"	416	398	169.99	0.31	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.010	0.697	0.000
O2	-0.010	-0.729	0.000
H3	-0.946	-0.946	0.000
H4	0.552	0.949	0.813
H5	0.552	0.949	-0.813

	N1	O2	H3	H4	H5
N1		1.4257	1.8906	1.0201	1.0201
O2	1.4257		0.9608	1.9476	1.9476
H3	1.8906	0.9608		2.5489	2.5489
H4	1.0201	1.9476	2.5489		1.6259
H5	1.0201	1.9476	2.5489	1.6259

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	103.055		O2	N1	H4	104.330
O2	N1	H5	104.330		H4	N1	H5	105.675

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: wB97X-D/aug-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	0.135
2	O	-0.431
3	H	0.141
4	H	0.078
5	H	0.078

	x	y	z	Total
	0.121	0.560	0.000	0.573
CHELPG
AIM
ESP

	x	y	z
x	2.607	0.246	0.000
y	0.246	3.111	0.000
z	0.000	0.000	2.423

<r²>	20.675
(<r²>)^1/2	4.547

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: wB97X-D/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)