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	hartrees
Energy at 0K	-131.678782
Energy at 298.15K
HF Energy	-131.678782
Nuclear repulsion energy	39.479389

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'	3860	3677	46.21	56.57	0.30	0.46
2	A'	3456	3292	1.75	105.12	0.11	0.20
3	A'	1678	1598	12.41	8.75	0.59	0.74
4	A'	1423	1355	25.22	3.42	0.73	0.85
5	A'	1170	1114	126.31	2.45	0.74	0.85
6	A'	996	949	12.41	11.57	0.18	0.30
7	A"	3537	3370	0.03	62.13	0.75	0.86
8	A"	1352	1288	0.04	7.35	0.75	0.86
9	A"	403	384	175.59	4.27	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.012	0.697	0.000
O2	-0.012	-0.729	0.000
H3	-0.954	-0.933	0.000
H4	0.567	0.943	0.808
H5	0.567	0.943	-0.808

	N1	O2	H3	H4	H5
N1		1.4255	1.8822	1.0241	1.0241
O2	1.4255		0.9637	1.9449	1.9449
H3	1.8822	0.9637		2.5464	2.5464
H4	1.0241	1.9449	2.5464		1.6164
H5	1.0241	1.9449	2.5464	1.6164

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	102.226		O2	N1	H4	103.902
O2	N1	H5	103.902		H4	N1	H5	104.214

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: wB97X-D/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	-0.114
2	O	-0.289
3	H	0.176
4	H	0.113
5	H	0.113

	x	y	z	Total
	0.109	0.564	0.000	0.574
CHELPG
AIM
ESP

	x	y	z
x	1.674	0.442	0.000
y	0.442	2.213	0.000
z	0.000	0.000	1.573

<r²>	20.254
(<r²>)^1/2	4.500

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)