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	hartrees
Energy at 0K	-130.256442
Energy at 298.15K
HF Energy	-130.256442
Nuclear repulsion energy	38.826577

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	3482	24.24	89.31	0.34	0.51
2	A'	3605	3254	0.36	107.50	0.15	0.26
3	A'	1845	1665	21.50	11.21	0.66	0.79
4	A'	1495	1349	30.22	7.29	0.66	0.80
5	A'	1195	1079	165.49	4.60	0.73	0.84
6	A'	1064	960	28.95	25.91	0.17	0.29
7	A"	3704	3343	0.00	62.60	0.75	0.86
8	A"	1392	1257	0.17	10.95	0.75	0.86
9	A"	450	407	267.28	9.58	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.007	0.719	0.000
O2	-0.007	-0.750	0.000
H3	-0.948	-0.972	0.000
H4	0.523	0.967	0.822
H5	0.523	0.967	-0.822

	N1	O2	H3	H4	H5
N1		1.4692	1.9359	1.0087	1.0087
O2	1.4692		0.9669	1.9755	1.9755
H3	1.9359	0.9669		2.5688	2.5688
H4	1.0087	1.9755	2.5688		1.6443
H5	1.0087	1.9755	2.5688	1.6443

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	103.316		O2	N1	H4	104.193
O2	N1	H5	104.193		H4	N1	H5	109.182

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: HF/3-21G*

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	-0.497
2	O	-0.545
3	H	0.400
4	H	0.321
5	H	0.321

	x	y	z	Total
	0.084	0.816	0.000	0.820
CHELPG
AIM
ESP

	x	y	z
x	1.244	0.591	0.000
y	0.591	2.129	0.000
z	0.000	0.000	1.217

<r²>	20.737
(<r²>)^1/2	4.554

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: HF/3-21G*

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)