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	hartrees
Energy at 0K	-130.936891
Energy at 298.15K
HF Energy	-130.936891
Nuclear repulsion energy	37.122470

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'	3282	3260	4.38	74.15	0.37	0.54
2	A'	3086	3066	14.41	128.14	0.12	0.22
3	A'	1629	1619	8.11	22.35	0.46	0.63
4	A'	1344	1335	12.12	12.81	0.74	0.85
5	A'	1093	1086	113.36	3.39	0.64	0.78
6	A'	840	834	4.49	13.34	0.14	0.24
7	A"	3185	3164	25.54	69.59	0.75	0.86
8	A"	1203	1195	0.09	16.61	0.75	0.86
9	A"	348	346	193.42	11.41	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.013	0.763	0.000
O2	-0.013	-0.789	0.000
H3	-1.015	-0.935	0.000
H4	0.605	0.951	0.828
H5	0.605	0.951	-0.828

	N1	O2	H3	H4	H5
N1		1.5517	1.9711	1.0502	1.0502
O2	1.5517		1.0123	2.0232	2.0232
H3	1.9711	1.0123		2.6200	2.6200
H4	1.0502	2.0232	2.6200		1.6560
H5	1.0502	2.0232	2.6200	1.6560

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	98.290		O2	N1	H4	100.303
O2	N1	H5	100.303		H4	N1	H5	104.074

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: BLYP/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	-0.439
2	O	-0.427
3	H	0.334
4	H	0.266
5	H	0.266

	x	y	z	Total
	0.284	0.554	0.000	0.623
CHELPG
AIM
ESP

	x	y	z
x	1.644	0.612	0.000
y	0.612	2.192	0.000
z	0.000	0.000	1.415

<r²>	21.979
(<r²>)^1/2	4.688

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: BLYP/3-21G*

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)