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	hartrees
Energy at 0K	-131.578508
Energy at 298.15K
HF Energy	-131.578508
Nuclear repulsion energy	39.590068

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'	3873	3707	35.36	56.63	0.28	0.44
2	A'	3469	3320	2.00	97.59	0.11	0.20
3	A'	1682	1609	13.17	8.71	0.54	0.70
4	A'	1435	1373	25.90	3.01	0.74	0.85
5	A'	1178	1127	134.53	2.50	0.74	0.85
6	A'	994	951	13.91	9.67	0.17	0.29
7	A"	3554	3401	0.00	55.13	0.75	0.86
8	A"	1355	1297	0.00	6.86	0.75	0.86
9	A"	407	390	159.87	2.91	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.011	0.695	0.000
O2	-0.011	-0.728	0.000
H3	-0.949	-0.932	0.000
H4	0.558	0.944	0.807
H5	0.558	0.944	-0.807

	N1	O2	H3	H4	H5
N1		1.4230	1.8780	1.0185	1.0185
O2	1.4230		0.9595	1.9414	1.9414
H3	1.8780	0.9595		2.5376	2.5376
H4	1.0185	1.9414	2.5376		1.6148
H5	1.0185	1.9414	2.5376	1.6148

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	102.297		O2	N1	H4	104.115
O2	N1	H5	104.115		H4	N1	H5	104.881

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: PBE1PBE/6-31G(2df,p)

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	-0.409
2	O	-0.453
3	H	0.322
4	H	0.270
5	H	0.270

	x	y	z	Total
	0.106	0.504	0.000	0.516
CHELPG
AIM
ESP

	x	y	z
x	1.858	0.412	0.000
y	0.412	2.372	0.000
z	0.000	0.000	1.832

<r²>	20.228
(<r²>)^1/2	4.498

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: PBE1PBE/6-31G(2df,p)

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)