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	hartrees
Energy at 0K	-130.991662
Energy at 298.15K
HF Energy	-130.991662
Nuclear repulsion energy	40.142260

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'	4185	3777	60.64	62.75	0.30	0.46
2	A'	3718	3356	2.19	101.43	0.13	0.23
3	A'	1828	1650	18.76	8.14	0.65	0.79
4	A'	1530	1381	34.50	3.21	0.70	0.82
5	A'	1253	1131	177.79	3.98	0.72	0.84
6	A'	1117	1009	20.79	18.36	0.20	0.34
7	A"	3810	3439	0.27	60.57	0.75	0.86
8	A"	1464	1321	0.13	7.47	0.75	0.86
9	A"	447	404	217.71	4.07	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.009	0.685	0.000
O2	-0.009	-0.717	0.000
H3	-0.922	-0.951	0.000
H4	0.529	0.946	0.804
H5	0.529	0.946	-0.804

	N1	O2	H3	H4	H5
N1		1.4025	1.8737	1.0018	1.0018
O2	1.4025		0.9428	1.9238	1.9238
H3	1.8737	0.9428		2.5196	2.5196
H4	1.0018	1.9238	2.5196		1.6083
H5	1.0018	1.9238	2.5196	1.6083

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	104.339		O2	N1	H4	105.064
O2	N1	H5	105.064		H4	N1	H5	106.780

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: HF/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	-0.387
2	O	-0.538
3	H	0.357
4	H	0.284
5	H	0.284

	x	y	z	Total
	0.080	0.677	0.000	0.682
CHELPG
AIM
ESP

	x	y	z
x	1.518	0.438	0.000
y	0.438	2.169	0.000
z	0.000	0.000	1.537

<r²>	19.946
(<r²>)^1/2	4.466

All results from a given calculation for NH2OH (hydroxylamine)

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

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)