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	hartrees
Energy at 0K	-131.570905
Energy at 298.15K
HF Energy	-131.570905
Nuclear repulsion energy	39.467755

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'	3809	3622	29.49	65.99	0.31	0.47
2	A'	3456	3286	3.14	107.88	0.13	0.22
3	A'	1722	1637	17.33	12.73	0.57	0.72
4	A'	1457	1385	23.50	5.19	0.74	0.85
5	A'	1198	1140	148.75	3.19	0.74	0.85
6	A'	993	945	12.99	11.26	0.18	0.31
7	A"	3551	3377	1.01	63.84	0.75	0.86
8	A"	1369	1302	0.02	10.42	0.75	0.86
9	A"	429	408	195.79	4.87	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.011	0.698	0.000
O2	-0.011	-0.730	0.000
H3	-0.956	-0.932	0.000
H4	0.561	0.940	0.810
H5	0.561	0.940	-0.810

	N1	O2	H3	H4	H5
N1		1.4280	1.8842	1.0201	1.0201
O2	1.4280		0.9660	1.9416	1.9416
H3	1.8842	0.9660		2.5414	2.5414
H4	1.0201	1.9416	2.5414		1.6190
H5	1.0201	1.9416	2.5414	1.6190

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	102.096		O2	N1	H4	103.702
O2	N1	H5	103.702		H4	N1	H5	105.036

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: HSEh1PBE/6-31G*

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	N	-0.527
2	O	-0.562
3	H	0.426
4	H	0.331
5	H	0.331

	x	y	z	Total
	0.158	0.545	0.000	0.568
CHELPG
AIM
ESP

	x	y	z
x	1.644	0.456	0.000
y	0.456	2.166	0.000
z	0.000	0.000	1.598

<r²>	20.356
(<r²>)^1/2	4.512

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: HSEh1PBE/6-31G*

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)