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	hartrees
Energy at 0K	-131.676949
Energy at 298.15K
HF Energy	-131.525931
Nuclear repulsion energy	39.326964

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	3857	48.25	53.46	0.23	0.37
2	A'	3482	3482	1.33	103.31	0.08	0.16
3	A'	1676	1676	16.37	3.39	0.62	0.76
4	A'	1405	1405	28.43	2.64	0.24	0.39
5	A'	1153	1153	126.51	1.77	0.10	0.18
6	A'	937	937	12.73	13.29	0.23	0.37
7	A"	3566	3566	4.20	49.79	0.75	0.86
8	A"	1338	1338	0.10	3.34	0.75	0.86
9	A"	423	423	170.30	0.17	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.010	0.704	0.000
O2	-0.010	-0.735	0.000
H3	-0.946	-0.946	0.000
H4	0.548	0.951	0.811
H5	0.548	0.951	-0.811

	N1	O2	H3	H4	H5
N1		1.4396	1.8973	1.0148	1.0148
O2	1.4396		0.9598	1.9524	1.9524
H3	1.8973	0.9598		2.5473	2.5473
H4	1.0148	1.9524	2.5473		1.6216
H5	1.0148	1.9524	2.5473	1.6216

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	102.670		O2	N1	H4	104.061
O2	N1	H5	104.061		H4	N1	H5	106.074

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: B2PLYP/6-311+G(3df,2p)

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	-0.164
2	O	-0.461
3	H	0.270
4	H	0.178
5	H	0.178

	x	y	z	Total
	0.118	0.597	0.000	0.609
CHELPG
AIM
ESP

	x	y	z
x	2.467	0.219	0.000
y	0.219	3.032	0.000
z	0.000	0.000	2.355

<r²>	20.892
(<r²>)^1/2	4.571

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: B2PLYP/6-311+G(3df,2p)

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)