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	hartrees
Energy at 0K	-131.575246
Energy at 298.15K
HF Energy	-131.575246
Nuclear repulsion energy	39.491228

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'	3829	3681	43.27	58.26	0.30	0.46
2	A'	3439	3307	2.17	109.91	0.11	0.20
3	A'	1671	1607	11.80	9.13	0.57	0.73
4	A'	1417	1363	23.71	3.54	0.74	0.85
5	A'	1168	1123	124.56	2.37	0.75	0.85
6	A'	982	944	12.16	10.96	0.18	0.31
7	A"	3520	3384	0.16	64.64	0.75	0.86
8	A"	1348	1296	0.01	7.56	0.75	0.86
9	A"	399	384	171.77	4.25	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.012	0.696	0.000
O2	-0.012	-0.728	0.000
H3	-0.956	-0.929	0.000
H4	0.569	0.941	0.807
H5	0.569	0.941	-0.807

	N1	O2	H3	H4	H5
N1		1.4245	1.8796	1.0246	1.0246
O2	1.4245		0.9650	1.9435	1.9435
H3	1.8796	0.9650		2.5450	2.5450
H4	1.0246	1.9435	2.5450		1.6144
H5	1.0246	1.9435	2.5450	1.6144

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	102.015		O2	N1	H4	103.837
O2	N1	H5	103.837		H4	N1	H5	103.956

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: PBE1PBE/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	-0.108
2	O	-0.286
3	H	0.174
4	H	0.110
5	H	0.110

	x	y	z	Total
	0.107	0.542	0.000	0.552
CHELPG
AIM
ESP

	x	y	z
x	1.698	0.448	0.000
y	0.448	2.217	0.000
z	0.000	0.000	1.587

<r²>	20.263
(<r²>)^1/2	4.501

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: PBE1PBE/cc-pVDZ

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)