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	hartrees
Energy at 0K	-131.599678
Energy at 298.15K
HF Energy	-131.599678
Nuclear repulsion energy	38.849437

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'	3686	3663	31.31	68.84	0.20	0.33
2	A'	3323	3302	5.84	137.70	0.08	0.14
3	A'	1588	1578	11.17	6.03	0.49	0.66
4	A'	1350	1342	21.37	3.50	0.17	0.29
5	A'	1117	1110	114.40	1.65	0.12	0.21
6	A'	886	880	12.18	8.18	0.23	0.38
7	A"	3407	3386	0.34	62.60	0.75	0.86
8	A"	1285	1278	0.01	3.29	0.75	0.86
9	A"	388	385	151.37	0.14	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.012	0.713	0.000
O2	-0.012	-0.743	0.000
H3	-0.966	-0.942	0.000
H4	0.574	0.949	0.816
H5	0.574	0.949	-0.816

	N1	O2	H3	H4	H5
N1		1.4564	1.9104	1.0317	1.0317
O2	1.4564		0.9744	1.9679	1.9679
H3	1.9104	0.9744		2.5714	2.5714
H4	1.0317	1.9679	2.5714		1.6321
H5	1.0317	1.9679	2.5714	1.6321

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	101.771		O2	N1	H4	103.212
O2	N1	H5	103.212		H4	N1	H5	104.551

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: PBEPBE/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	0.130
2	O	-0.396
3	H	0.138
4	H	0.064
5	H	0.064

	x	y	z	Total
	0.140	0.528	0.000	0.546
CHELPG
AIM
ESP

	x	y	z
x	2.865	0.271	0.000
y	0.271	3.353	0.000
z	0.000	0.000	2.626

<r²>	21.281
(<r²>)^1/2	4.613

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: PBEPBE/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)