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	hartrees
Energy at 0K	-131.619222
Energy at 298.15K
HF Energy	-131.497333
Nuclear repulsion energy	39.304050

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'	3830	3830	22.63	56.09	0.35	0.51
2	A'	3487	3487	2.75	95.48	0.13	0.23
3	A'	1750	1750	28.52	10.01	0.67	0.80
4	A'	1461	1461	28.22	4.81	0.75	0.86
5	A'	1200	1200	149.03	1.42	0.68	0.81
6	A'	952	952	11.60	14.08	0.20	0.34
7	A"	3570	3570	0.36	59.29	0.75	0.86
8	A"	1366	1366	0.04	9.57	0.75	0.86
9	A"	435	435	220.10	4.62	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.011	0.706	0.000
O2	-0.011	-0.736	0.000
H3	-0.947	-0.945	0.000
H4	0.552	0.945	0.810
H5	0.552	0.945	-0.810

	N1	O2	H3	H4	H5
N1		1.4417	1.8985	1.0150	1.0150
O2	1.4417		0.9598	1.9485	1.9485
H3	1.8985	0.9598		2.5450	2.5450
H4	1.0150	1.9485	2.5450		1.6202
H5	1.0150	1.9485	2.5450	1.6202

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	102.619		O2	N1	H4	103.602
O2	N1	H5	103.602		H4	N1	H5	105.908

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: B2PLYP/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	-0.568
2	O	-0.516
3	H	0.408
4	H	0.338
5	H	0.338

	x	y	z	Total
	0.086	0.635	0.000	0.641
CHELPG
AIM
ESP

	x	y	z
x	1.710	0.424	0.001
y	0.424	2.258	0.001
z	0.001	0.001	1.629

<r²>	20.627
(<r²>)^1/2	4.542

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: B2PLYP/6-311G*

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)