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	hartrees
Energy at 0K	-131.705899
Energy at 298.15K
HF Energy	-131.705899
Nuclear repulsion energy	38.947045

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	3671	31.40	67.46	0.19	0.32
2	A'	3353	3302	5.39	135.68	0.07	0.14
3	A'	1631	1606	12.38	5.15	0.51	0.67
4	A'	1372	1351	21.85	3.50	0.13	0.23
5	A'	1134	1116	110.92	1.69	0.07	0.13
6	A'	864	851	12.94	9.53	0.24	0.38
7	A"	3436	3383	0.38	61.05	0.75	0.86
8	A"	1300	1281	0.01	2.50	0.75	0.86
9	A"	398	392	153.04	0.09	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.011	0.714	0.000
O2	-0.011	-0.744	0.000
H3	-0.957	-0.942	0.000
H4	0.563	0.949	0.812
H5	0.563	0.949	-0.812

	N1	O2	H3	H4	H5
N1		1.4584	1.9070	1.0218	1.0218
O2	1.4584		0.9659	1.9637	1.9637
H3	1.9070	0.9659		2.5584	2.5584
H4	1.0218	1.9637	2.5584		1.6230
H5	1.0218	1.9637	2.5584	1.6230

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	101.813		O2	N1	H4	103.289
O2	N1	H5	103.289		H4	N1	H5	105.164

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: B97D3/aug-cc-pVTZ

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	-0.327
3	H	0.188
4	H	0.137
5	H	0.137

	x	y	z	Total
	0.134	0.555	0.000	0.571
CHELPG
AIM
ESP

	x	y	z
x	2.846	0.250	0.000
y	0.250	3.380	0.000
z	0.000	0.000	2.639

<r²>	21.127
(<r²>)^1/2	4.596

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)