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	hartrees
Energy at 0K	-131.741435
Energy at 298.15K
HF Energy	-131.741435
Nuclear repulsion energy	39.627271

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'	3907	3907	43.85	54.12	0.23	0.38
2	A'	3491	3491	1.55	106.77	0.09	0.16
3	A'	1684	1684	15.48	5.13	0.50	0.67
4	A'	1419	1419	29.87	1.76	0.51	0.68
5	A'	1155	1155	134.09	1.81	0.49	0.66
6	A'	993	993	15.61	11.54	0.18	0.31
7	A"	3572	3572	1.83	50.14	0.75	0.86
8	A"	1352	1352	0.08	3.57	0.75	0.86
9	A"	427	427	172.02	1.55	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.010	0.695	0.000
O2	-0.010	-0.728	0.000
H3	-0.941	-0.943	0.000
H4	0.544	0.951	0.810
H5	0.544	0.951	-0.810

	N1	O2	H3	H4	H5
N1		1.4232	1.8841	1.0134	1.0134
O2	1.4232		0.9556	1.9441	1.9441
H3	1.8841	0.9556		2.5385	2.5385
H4	1.0134	1.9441	2.5385		1.6194
H5	1.0134	1.9441	2.5385	1.6194

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	102.985		O2	N1	H4	104.601
O2	N1	H5	104.601		H4	N1	H5	106.067

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: wB97X-D/cc-pVQZ

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	-0.198
2	O	-0.362
3	H	0.260
4	H	0.150
5	H	0.150

	x	y	z	Total
	0.100	0.560	0.000	0.568
CHELPG
AIM
ESP

	x	y	z
x	2.302	0.298	0.000
y	0.298	2.822	0.000
z	0.000	0.000	2.144

<r²>	20.441
(<r²>)^1/2	4.521

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: wB97X-D/cc-pVQZ

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)