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	hartrees
Energy at 0K	-131.630580
Energy at 298.15K
HF Energy	-131.630580
Nuclear repulsion energy	39.585162

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'	3866	3866	45.80	64.09	0.19	0.32
2	A'	3478	3478	2.07	124.52	0.07	0.13
3	A'	1674	1674	14.02	4.22	0.51	0.67
4	A'	1409	1409	27.98	3.01	0.15	0.27
5	A'	1150	1150	125.44	2.72	0.12	0.21
6	A'	978	978	15.24	7.81	0.26	0.42
7	A"	3558	3558	2.95	52.77	0.75	0.86
8	A"	1346	1346	0.09	2.01	0.75	0.86
9	A"	426	426	164.30	0.12	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.010	0.695	0.000
O2	-0.010	-0.728	0.000
H3	-0.945	-0.943	0.000
H4	0.546	0.951	0.811
H5	0.546	0.951	-0.811

	N1	O2	H3	H4	H5
N1		1.4235	1.8863	1.0156	1.0156
O2	1.4235		0.9591	1.9455	1.9455
H3	1.8863	0.9591		2.5428	2.5428
H4	1.0156	1.9455	2.5428		1.6213
H5	1.0156	1.9455	2.5428	1.6213

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	102.951		O2	N1	H4	104.565
O2	N1	H5	104.565		H4	N1	H5	105.917

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: PBE1PBE/daug-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	-0.049
2	O	-0.783
3	H	0.364
4	H	0.234
5	H	0.234

	x	y	z	Total
	0.104	0.540	0.000	0.550
CHELPG
AIM
ESP

	x	y	z
x	2.667	0.241	0.000
y	0.241	3.183	0.000
z	0.000	0.000	2.504

<r²>	20.628
(<r²>)^1/2	4.542

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: PBE1PBE/daug-cc-pVTZ

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)