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	hartrees
Energy at 0K	-131.632811
Energy at 298.15K
HF Energy	-131.632811
Nuclear repulsion energy	38.899360

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'	3694	3653	33.59	68.38	0.19	0.32
2	A'	3337	3299	4.56	137.56	0.07	0.14
3	A'	1609	1591	12.57	5.36	0.50	0.67
4	A'	1355	1340	22.20	3.79	0.13	0.23
5	A'	1118	1105	112.87	1.97	0.08	0.14
6	A'	882	872	12.36	7.88	0.24	0.39
7	A"	3415	3377	0.89	61.29	0.75	0.86
8	A"	1285	1271	0.00	2.55	0.75	0.86
9	A"	400	396	151.68	0.09	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.011	0.713	0.000
O2	-0.011	-0.744	0.000
H3	-0.962	-0.942	0.000
H4	0.566	0.951	0.815
H5	0.566	0.951	-0.815

	N1	O2	H3	H4	H5
N1		1.4568	1.9085	1.0265	1.0265
O2	1.4568		0.9713	1.9672	1.9672
H3	1.9085	0.9713		2.5655	2.5655
H4	1.0265	1.9672	2.5655		1.6299
H5	1.0265	1.9672	2.5655	1.6299

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	101.759		O2	N1	H4	103.414
O2	N1	H5	103.414		H4	N1	H5	105.100

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

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	-0.151
2	O	-0.324
3	H	0.187
4	H	0.144
5	H	0.144

	x	y	z	Total
	0.132	0.536	0.000	0.552
CHELPG
AIM
ESP

	x	y	z
x	2.893	0.256	0.000
y	0.256	3.403	0.000
z	0.000	0.000	2.677

<r²>	21.231
(<r²>)^1/2	4.608

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)