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	hartrees
Energy at 0K	-131.573174
Energy at 298.15K
HF Energy	-131.459212
Nuclear repulsion energy	39.113237

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'	3778	3586	27.96	65.22	0.32	0.48
2	A'	3452	3277	2.42	105.07	0.13	0.23
3	A'	1721	1633	18.67	12.66	0.57	0.72
4	A'	1449	1375	20.86	5.66	0.74	0.85
5	A'	1202	1141	148.53	2.56	0.71	0.83
6	A'	946	898	11.08	13.06	0.19	0.32
7	A"	3548	3368	0.90	62.18	0.75	0.86
8	A"	1353	1285	0.01	10.27	0.75	0.86
9	A"	413	392	198.51	5.22	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.011	0.710	0.000
O2	-0.011	-0.739	0.000
H3	-0.960	-0.934	0.000
H4	0.565	0.940	0.810
H5	0.565	0.940	-0.810

	N1	O2	H3	H4	H5
N1		1.4491	1.8982	1.0203	1.0203
O2	1.4491		0.9685	1.9517	1.9517
H3	1.8982	0.9685		2.5487	2.5487
H4	1.0203	1.9517	2.5487		1.6198
H5	1.0203	1.9517	2.5487	1.6198

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	101.618		O2	N1	H4	103.061
O2	N1	H5	103.061		H4	N1	H5	105.078

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: B2PLYP/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	-0.508
2	O	-0.565
3	H	0.423
4	H	0.325
5	H	0.325

	x	y	z	Total
	0.167	0.585	0.000	0.608
CHELPG
AIM
ESP

	x	y	z
x	1.657	0.462	0.001
y	0.462	2.217	0.001
z	0.001	0.001	1.598

<r²>	20.659
(<r²>)^1/2	4.545

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)