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	hartrees
Energy at 0K	-131.756741
Energy at 298.15K
HF Energy	-131.756741
Nuclear repulsion energy	39.180463

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'	3828	3701	36.56	53.52	0.32	0.48
2	A'	3436	3322	1.71	100.83	0.12	0.21
3	A'	1673	1617	18.52	9.28	0.65	0.79
4	A'	1407	1360	28.76	3.59	0.75	0.86
5	A'	1152	1114	132.80	1.83	0.67	0.80
6	A'	933	902	12.12	13.30	0.20	0.34
7	A"	3511	3394	0.12	59.22	0.75	0.86
8	A"	1329	1285	0.00	8.38	0.75	0.86
9	A"	420	406	191.09	4.09	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.011	0.707	0.000
O2	-0.011	-0.739	0.000
H3	-0.951	-0.940	0.000
H4	0.556	0.951	0.810
H5	0.556	0.951	-0.810

	N1	O2	H3	H4	H5
N1		1.4464	1.8970	1.0187	1.0187
O2	1.4464		0.9616	1.9581	1.9581
H3	1.8970	0.9616		2.5505	2.5505
H4	1.0187	1.9581	2.5505		1.6208
H5	1.0187	1.9581	2.5505	1.6208

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	102.068		O2	N1	H4	103.823
O2	N1	H5	103.823		H4	N1	H5	105.409

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: B3LYP/6-311G**

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	-0.308
2	O	-0.382
3	H	0.266
4	H	0.212
5	H	0.212

	x	y	z	Total
	0.113	0.627	0.000	0.637
CHELPG
AIM
ESP

	x	y	z
x	1.832	0.427	0.000
y	0.427	2.378	0.000
z	0.000	0.000	1.736

<r²>	20.673
(<r²>)^1/2	4.547

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: B3LYP/6-311G**

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)