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	hartrees
Energy at 0K	-131.692770
Energy at 298.15K
HF Energy	-131.692770
Nuclear repulsion energy	39.509162

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'	3887	3700	52.60	49.83	0.28	0.43
2	A'	3502	3333	1.47	100.24	0.11	0.19
3	A'	1694	1612	23.40	6.12	0.72	0.84
4	A'	1409	1341	29.51	2.78	0.43	0.60
5	A'	1152	1097	144.36	2.92	0.18	0.30
6	A'	981	934	17.88	12.47	0.26	0.41
7	A"	3597	3423	3.01	58.66	0.75	0.86
8	A"	1350	1285	0.02	6.34	0.75	0.86
9	A"	455	433	210.20	0.25	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.010	0.697	0.000
O2	-0.010	-0.729	0.000
H3	-0.947	-0.946	0.000
H4	0.545	0.950	0.814
H5	0.545	0.950	-0.814

	N1	O2	H3	H4	H5
N1		1.4263	1.8916	1.0170	1.0170
O2	1.4263		0.9619	1.9472	1.9472
H3	1.8916	0.9619		2.5466	2.5466
H4	1.0170	1.9472	2.5466		1.6275
H5	1.0170	1.9472	2.5466	1.6275

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	103.022		O2	N1	H4	104.431
O2	N1	H5	104.431		H4	N1	H5	106.292

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: mPW1PW91/6-31+G**

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	-0.634
2	O	-0.360
3	H	0.366
4	H	0.314
5	H	0.314

	x	y	z	Total
	0.139	0.630	0.000	0.645
CHELPG
AIM
ESP

	x	y	z
x	2.089	0.232	0.000
y	0.232	2.613	0.000
z	0.000	0.000	2.026

<r²>	20.683
(<r²>)^1/2	4.548

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: mPW1PW91/6-31+G**

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)