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	hartrees
Energy at 0K	-131.704928
Energy at 298.15K
HF Energy	-131.704928
Nuclear repulsion energy	39.096745

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	3589	21.92	68.27	0.31	0.48
2	A'	3409	3266	3.57	110.02	0.13	0.22
3	A'	1705	1633	16.30	13.52	0.56	0.72
4	A'	1438	1378	20.75	5.85	0.74	0.85
5	A'	1189	1139	140.00	2.99	0.72	0.84
6	A'	942	902	11.60	12.53	0.19	0.32
7	A"	3500	3353	2.47	65.20	0.75	0.86
8	A"	1345	1289	0.02	11.04	0.75	0.86
9	A"	411	394	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	101.760		O2	N1	H4	103.183
O2	N1	H5	103.183		H4	N1	H5	104.854

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: B3LYPultrafine/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	-0.496
2	O	-0.547
3	H	0.411
4	H	0.316
5	H	0.316

	x	y	z	Total
	0.167	0.558	0.000	0.583
CHELPG
AIM
ESP

	x	y	z
x	1.682	0.477	0.000
y	0.477	2.229	0.000
z	0.000	0.000	1.620

<r²>	20.638
(<r²>)^1/2	4.543

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)