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	hartrees
Energy at 0K	-131.685827
Energy at 298.15K
HF Energy	-131.685827
Nuclear repulsion energy	39.559848

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'	3865	3865	29.99	57.95	0.34	0.51
2	A'	3496	3496	1.37	92.30	0.13	0.23
3	A'	1751	1751	28.44	9.84	0.70	0.83
4	A'	1464	1464	30.21	4.99	0.74	0.85
5	A'	1196	1196	155.55	2.16	0.60	0.75
6	A'	1021	1021	13.64	12.64	0.20	0.34
7	A"	3574	3574	0.01	57.24	0.75	0.86
8	A"	1382	1382	0.00	9.65	0.75	0.86
9	A"	439	439	222.51	4.57	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.010	0.697	0.000
O2	-0.010	-0.727	0.000
H3	-0.945	-0.949	0.000
H4	0.551	0.944	0.811
H5	0.551	0.944	-0.811

	N1	O2	H3	H4	H5
N1		1.4246	1.8928	1.0165	1.0165
O2	1.4246		0.9603	1.9408	1.9408
H3	1.8928	0.9603		2.5452	2.5452
H4	1.0165	1.9408	2.5452		1.6216
H5	1.0165	1.9408	2.5452	1.6216

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	103.332		O2	N1	H4	104.067
O2	N1	H5	104.067		H4	N1	H5	105.812

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: M06-2X/6-311G*

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	-0.584
2	O	-0.524
3	H	0.417
4	H	0.346
5	H	0.346

	x	y	z	Total
	0.055	0.623	0.000	0.625
CHELPG
AIM
ESP

	x	y	z
x	1.703	0.426	0.000
y	0.426	2.219	0.000
z	0.000	0.000	1.626

<r²>	20.429
(<r²>)^1/2	4.520

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: M06-2X/6-311G*

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)