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	hartrees
Energy at 0K	-131.628217
Energy at 298.15K
HF Energy	-131.628217
Nuclear repulsion energy	38.977836

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'	3718	3688	35.92	55.98	0.24	0.39
2	A'	3349	3321	4.28	111.82	0.09	0.16
3	A'	1614	1601	14.29	4.17	0.58	0.74
4	A'	1363	1351	24.85	3.36	0.21	0.35
5	A'	1121	1111	115.71	1.86	0.09	0.16
6	A'	890	883	11.93	9.78	0.24	0.38
7	A"	3427	3399	0.99	56.78	0.75	0.86
8	A"	1291	1281	0.00	4.29	0.75	0.86
9	A"	409	406	155.95	0.07	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.011	0.710	0.000
O2	-0.011	-0.742	0.000
H3	-0.960	-0.942	0.000
H4	0.564	0.951	0.815
H5	0.564	0.951	-0.815

	N1	O2	H3	H4	H5
N1		1.4521	1.9061	1.0264	1.0264
O2	1.4521		0.9702	1.9651	1.9651
H3	1.9061	0.9702		2.5641	2.5641
H4	1.0264	1.9651	2.5641		1.6303
H5	1.0264	1.9651	2.5641	1.6303

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	101.941		O2	N1	H4	103.569
O2	N1	H5	103.569		H4	N1	H5	105.158

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: PBEPBE/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	-0.143
2	O	-0.433
3	H	0.262
4	H	0.157
5	H	0.157

	x	y	z	Total
	0.131	0.540	0.000	0.556
CHELPG
AIM
ESP

	x	y	z
x	2.640	0.223	0.000
y	0.223	3.136	0.000
z	0.000	0.000	2.494

<r²>	21.154
(<r²>)^1/2	4.599

All results from a given calculation for NH2OH (hydroxylamine)

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

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)