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	hartrees
Energy at 0K	-131.685338
Energy at 298.15K
HF Energy	-131.685338
Nuclear repulsion energy	39.520836

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'	3877	3877	55.71	59.17	0.19	0.32
2	A'	3480	3480	0.91	118.14	0.07	0.14
3	A'	1653	1653	14.95	4.19	0.52	0.69
4	A'	1406	1406	29.23	2.36	0.24	0.38
5	A'	1154	1154	131.81	2.88	0.17	0.29
6	A'	1007	1007	15.82	9.22	0.25	0.40
7	A"	3561	3561	5.12	50.13	0.75	0.86
8	A"	1347	1347	0.14	2.37	0.75	0.86
9	A"	404	404	169.50	0.38	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.010	0.696	0.000
O2	-0.010	-0.728	0.000
H3	-0.947	-0.948	0.000
H4	0.552	0.948	0.813
H5	0.552	0.948	-0.813

	N1	O2	H3	H4	H5
N1		1.4241	1.8927	1.0200	1.0200
O2	1.4241		0.9624	1.9456	1.9456
H3	1.8927	0.9624		2.5504	2.5504
H4	1.0200	1.9456	2.5504		1.6256
H5	1.0200	1.9456	2.5504	1.6256

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	103.248		O2	N1	H4	104.291
O2	N1	H5	104.291		H4	N1	H5	105.666

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: M06-2X/aug-cc-pVDZ

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	0.163
2	O	-0.416
3	H	0.145
4	H	0.054
5	H	0.054

	x	y	z	Total
	0.102	0.559	0.000	0.568
CHELPG
AIM
ESP

	x	y	z
x	2.543	0.264	0.000
y	0.264	3.060	0.000
z	0.000	0.000	2.365

<r²>	20.678
(<r²>)^1/2	4.547

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: M06-2X/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)