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	hartrees
Energy at 0K	-131.609947
Energy at 298.15K
HF Energy	-131.609947
Nuclear repulsion energy	39.504678

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'	3857	3857	45.44	64.56	0.19	0.32
2	A'	3468	3468	2.78	127.04	0.07	0.13
3	A'	1660	1660	13.30	4.33	0.50	0.67
4	A'	1407	1407	27.27	3.02	0.15	0.26
5	A'	1152	1152	124.64	2.69	0.11	0.20
6	A'	976	976	14.50	8.10	0.27	0.42
7	A"	3554	3554	2.13	54.74	0.75	0.86
8	A"	1346	1346	0.10	2.05	0.75	0.86
9	A"	418	418	163.19	0.09	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.011	0.697	0.000
O2	-0.011	-0.729	0.000
H3	-0.948	-0.944	0.000
H4	0.554	0.948	0.812
H5	0.554	0.948	-0.812

	N1	O2	H3	H4	H5
N1		1.4254	1.8898	1.0201	1.0201
O2	1.4254		0.9619	1.9467	1.9467
H3	1.8898	0.9619		2.5487	2.5487
H4	1.0201	1.9467	2.5487		1.6231
H5	1.0201	1.9467	2.5487	1.6231

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	102.948		O2	N1	H4	104.283
O2	N1	H5	104.283		H4	N1	H5	105.419

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: HSEh1PBE/daug-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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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	-0.197
2	O	-0.494
3	H	0.374
4	H	0.159
5	H	0.159

	x	y	z	Total
	0.119	0.537	0.000	0.550
CHELPG
AIM
ESP

	x	y	z
x	2.696	0.243	0.000
y	0.243	3.208	0.000
z	0.000	0.000	2.526

<r²>	20.701
(<r²>)^1/2	4.550

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: HSEh1PBE/daug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)