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	hartrees
Energy at 0K	-131.712868
Energy at 298.15K
HF Energy	-131.712868
Nuclear repulsion energy	39.636402

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'	3903	3903	58.13	56.55	0.23	0.38
2	A'	3498	3498	0.56	100.43	0.09	0.16
3	A'	1680	1680	16.09	3.55	0.63	0.78
4	A'	1415	1415	30.88	2.71	0.29	0.45
5	A'	1157	1157	131.41	2.91	0.15	0.27
6	A'	1012	1012	16.51	10.13	0.25	0.39
7	A"	3577	3577	5.96	48.12	0.75	0.86
8	A"	1354	1354	0.17	3.38	0.75	0.86
9	A"	422	422	171.67	0.37	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.010	0.694	0.000
O2	0.010	-0.726	0.000
H3	0.942	-0.949	0.000
H4	-0.544	0.951	0.812
H5	-0.544	0.951	-0.812

	N1	O2	H3	H4	H5
N1		1.4201	1.8895	1.0155	1.0155
O2	1.4201		0.9589	1.9438	1.9438
H3	1.8895	0.9589		2.5454	2.5454
H4	1.0155	1.9438	2.5454		1.6230
H5	1.0155	1.9438	2.5454	1.6230

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	103.463		O2	N1	H4	104.668
O2	N1	H5	104.668		H4	N1	H5	106.090

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: M06-2X/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	-0.251
2	O	-0.463
3	H	0.278
4	H	0.218
5	H	0.218

	x	y	z	Total
	-0.081	0.565	0.000	0.571
CHELPG
AIM
ESP

	x	y	z
x	2.390	-0.246	0.000
y	-0.246	2.913	0.000
z	0.000	0.000	2.284

<r²>	20.586
(<r²>)^1/2	4.537

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: M06-2X/6-311+G(3df,2p)

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)