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	hartrees
Energy at 0K	-131.625720
Energy at 298.15K
HF Energy	-131.625720
Nuclear repulsion energy	38.882595

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'	3702	3676	28.24	55.82	0.27	0.42
2	A'	3329	3306	3.96	116.45	0.09	0.17
3	A'	1610	1599	13.74	8.37	0.49	0.66
4	A'	1366	1356	21.69	2.81	0.70	0.83
5	A'	1128	1120	123.32	1.34	0.75	0.86
6	A'	883	877	10.25	11.13	0.18	0.30
7	A"	3408	3384	0.13	57.77	0.75	0.86
8	A"	1285	1276	0.02	6.15	0.75	0.86
9	A"	392	390	157.86	2.92	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.012	0.714	0.000
O2	-0.012	-0.745	0.000
H3	-0.964	-0.934	0.000
H4	0.572	0.947	0.812
H5	0.572	0.947	-0.812

	N1	O2	H3	H4	H5
N1		1.4590	1.9032	1.0268	1.0268
O2	1.4590		0.9705	1.9651	1.9651
H3	1.9032	0.9705		2.5601	2.5601
H4	1.0268	1.9651	2.5601		1.6245
H5	1.0268	1.9651	2.5601	1.6245

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	101.235		O2	N1	H4	103.092
O2	N1	H5	103.092		H4	N1	H5	104.569

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: PBEPBEultrafine/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	-0.198
2	O	-0.323
3	H	0.231
4	H	0.145
5	H	0.145

	x	y	z	Total
	0.123	0.530	0.000	0.544
CHELPG
AIM
ESP

	x	y	z
x	2.229	0.380	0.000
y	0.380	2.742	0.000
z	0.000	0.000	2.041

<r²>	20.950
(<r²>)^1/2	4.577

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: PBEPBEultrafine/cc-pVTZ

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)