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	hartrees
Energy at 0K	-131.569045
Energy at 298.15K
HF Energy	-131.569045
Nuclear repulsion energy	38.832665

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'	3695	3644	17.65	67.83	0.29	0.45
2	A'	3314	3269	6.12	118.50	0.11	0.20
3	A'	1624	1602	12.27	15.78	0.53	0.69
4	A'	1377	1358	18.07	6.29	0.75	0.86
5	A'	1141	1126	127.53	3.22	0.72	0.84
6	A'	891	879	10.89	9.77	0.19	0.32
7	A"	3402	3355	4.24	67.11	0.75	0.86
8	A"	1289	1272	0.24	12.44	0.75	0.86
9	A"	392	387	172.52	5.38	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.013	0.714	0.000
O2	-0.013	-0.745	0.000
H3	-0.971	-0.927	0.000
H4	0.582	0.943	0.812
H5	0.582	0.943	-0.812

	N1	O2	H3	H4	H5
N1		1.4589	1.8999	1.0317	1.0317
O2	1.4589		0.9751	1.9648	1.9648
H3	1.8999	0.9751		2.5620	2.5620
H4	1.0317	1.9648	2.5620		1.6233
H5	1.0317	1.9648	2.5620	1.6233

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	100.744		O2	N1	H4	102.814
O2	N1	H5	102.814		H4	N1	H5	103.751

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: PBEPBEultrafine/6-31G**

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	-0.396
2	O	-0.456
3	H	0.328
4	H	0.262
5	H	0.262

	x	y	z	Total
	0.179	0.514	0.000	0.544
CHELPG
AIM
ESP

	x	y	z
x	1.803	0.484	0.000
y	0.484	2.289	0.000
z	0.000	0.000	1.706

<r²>	20.813
(<r²>)^1/2	4.562

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: PBEPBEultrafine/6-31G**

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)