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	hartrees
Energy at 0K	-130.917332
Energy at 298.15K
HF Energy	-130.917332
Nuclear repulsion energy	38.133509

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'	3530	3378	6.11	79.29	0.35	0.51
2	A'	3329	3185	2.08	116.38	0.13	0.24
3	A'	1705	1631	16.21	16.32	0.54	0.70
4	A'	1393	1333	23.91	9.35	0.72	0.84
5	A'	1119	1070	135.08	3.91	0.73	0.85
6	A'	934	894	17.14	15.60	0.11	0.20
7	A"	3436	3287	5.32	63.53	0.75	0.86
8	A"	1278	1222	0.00	13.51	0.75	0.86
9	A"	410	393	230.98	10.48	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.010	0.735	0.000
O2	-0.010	-0.764	0.000
H3	-0.985	-0.940	0.000
H4	0.564	0.956	0.826
H5	0.564	0.956	-0.826

	N1	O2	H3	H4	H5
N1		1.4988	1.9376	1.0293	1.0293
O2	1.4988		0.9907	1.9922	1.9922
H3	1.9376	0.9907		2.5832	2.5832
H4	1.0293	1.9922	2.5832		1.6512
H5	1.0293	1.9922	2.5832	1.6512

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	100.207		O2	N1	H4	102.405
O2	N1	H5	102.405		H4	N1	H5	106.661

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: B1B95/3-21G

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	-0.490
2	O	-0.479
3	H	0.370
4	H	0.300
5	H	0.300

	x	y	z	Total
	0.212	0.644	0.000	0.678
CHELPG
AIM
ESP

	x	y	z
x	1.428	0.579	0.000
y	0.579	2.074	0.000
z	0.000	0.000	1.307

<r²>	21.142
(<r²>)^1/2	4.598

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: B1B95/3-21G

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)