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	hartrees
Energy at 0K	-130.808230
Energy at 298.15K
HF Energy	-130.729303
Nuclear repulsion energy	37.807364

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'	3485	3485	4.29	78.77	0.36	0.53
2	A'	3311	3311	2.71	114.81	0.14	0.24
3	A'	1710	1710	15.79	16.58	0.53	0.69
4	A'	1392	1392	19.70	10.15	0.72	0.84
5	A'	1129	1129	138.39	3.20	0.64	0.78
6	A'	907	907	9.69	15.75	0.13	0.23
7	A"	3412	3412	7.13	63.45	0.75	0.86
8	A"	1269	1269	0.00	13.46	0.75	0.86
9	A"	393	393	225.18	10.93	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.010	0.745	0.000
O2	-0.010	-0.774	0.000
H3	-0.989	-0.943	0.000
H4	0.569	0.958	0.826
H5	0.569	0.958	-0.826

	N1	O2	H3	H4	H5
N1		1.5188	1.9520	1.0308	1.0308
O2	1.5188		0.9940	2.0043	2.0043
H3	1.9520	0.9940		2.5935	2.5935
H4	1.0308	2.0043	2.5935		1.6523
H5	1.0308	2.0043	2.5935	1.6523

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	99.827		O2	N1	H4	101.938
O2	N1	H5	101.938		H4	N1	H5	106.535

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: B2PLYP=FULLultrafine/3-21G*

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	-0.466
2	O	-0.469
3	H	0.361
4	H	0.287
5	H	0.287

	x	y	z	Total
	0.214	0.647	0.000	0.682
CHELPG
AIM
ESP

	x	y	z
x	1.453	0.593	0.001
y	0.593	2.122	0.001
z	0.001	0.001	1.316

<r²>	21.468
(<r²>)^1/2	4.633

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: B2PLYP=FULLultrafine/3-21G*

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)