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	hartrees
Energy at 0K	-131.633092
Energy at 298.15K	-131.628904
HF Energy	-131.704928
Nuclear repulsion energy	39.104131

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'	3746	3597	21.92	68.27	0.31	0.48
2	A'	3409	3274	3.57	110.02	0.13	0.22
3	A'	1705	1637	16.30	13.52	0.56	0.72
4	A'	1438	1381	20.75	5.85	0.74	0.85
5	A'	1189	1141	140.00	2.99	0.72	0.84
6	A'	942	905	11.60	12.53	0.19	0.32
7	A"	3500	3361	2.47	65.20	0.75	0.86
8	A"	1345	1292	0.02	11.04	0.75	0.86
9	A"	411	395	190.28	5.40	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.012	0.709	0.000
O2	-0.012	-0.739	0.000
H3	-0.961	-0.937	0.000
H4	0.567	0.942	0.811
H5	0.567	0.942	-0.811

	N1	O2	H3	H4	H5
N1		1.4481	1.9000	1.0227	1.0227
O2	1.4481		0.9697	1.9541	1.9541
H3	1.9000	0.9697		2.5537	2.5537
H4	1.0227	1.9541	2.5537		1.6211
H5	1.0227	1.9541	2.5537	1.6211

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	101.744		O2	N1	H4	103.170
O2	N1	H5	103.170		H4	N1	H5	104.893

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: G3B3

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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	x	y	z	Total
	0.167	0.558	0.000	0.583
CHELPG
AIM	-0.269	-0.432	0.000	0.509
ESP	-0.176	0.571	0.000	0.598

Number	Element	Mulliken
1	N	-0.496
2	O	-0.547
3	H	0.411
4	H	0.316
5	H	0.316

<r²>	20.638
(<r²>)^1/2	4.543

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: G3B3

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)