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	hartrees
Energy at 0K	-131.773247
Energy at 298.15K
HF Energy	-131.773247
Nuclear repulsion energy	39.191265

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'	3814	3687	37.70	54.54	0.27	0.43
2	A'	3436	3321	1.55	107.55	0.10	0.18
3	A'	1665	1609	15.55	6.79	0.53	0.70
4	A'	1400	1354	26.01	2.35	0.71	0.83
5	A'	1151	1113	133.47	1.39	0.74	0.85
6	A'	925	895	11.44	13.78	0.19	0.32
7	A"	3514	3397	0.24	54.35	0.75	0.86
8	A"	1325	1281	0.02	5.29	0.75	0.86
9	A"	406	393	169.58	2.91	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.011	0.708	0.000
O2	-0.011	-0.739	0.000
H3	-0.950	-0.944	0.000
H4	0.554	0.950	0.810
H5	0.554	0.950	-0.810

	N1	O2	H3	H4	H5
N1		1.4469	1.9001	1.0166	1.0166
O2	1.4469		0.9614	1.9562	1.9562
H3	1.9001	0.9614		2.5502	2.5502
H4	1.0166	1.9562	2.5502		1.6198
H5	1.0166	1.9562	2.5502	1.6198

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	102.295		O2	N1	H4	103.763
O2	N1	H5	103.763		H4	N1	H5	105.634

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: B3LYPultrafine/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	-0.203
2	O	-0.337
3	H	0.234
4	H	0.153
5	H	0.153

	x	y	z	Total
	0.104	0.582	0.000	0.591
CHELPG
AIM
ESP

	x	y	z
x	2.120	0.372	0.000
y	0.372	2.693	0.000
z	0.000	0.000	1.966

<r²>	20.739
(<r²>)^1/2	4.554

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: B3LYPultrafine/cc-pVTZ

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)