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	hartrees
Energy at 0K	-131.041094
Energy at 298.15K
HF Energy	-131.041094
Nuclear repulsion energy	40.193569

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'	4166	3785	66.15	54.35	0.30	0.46
2	A'	3709	3370	1.28	94.40	0.12	0.22
3	A'	1825	1658	21.48	5.74	0.74	0.85
4	A'	1518	1380	37.20	1.98	0.75	0.85
5	A'	1233	1121	156.65	4.78	0.36	0.53
6	A'	1115	1013	24.39	19.11	0.27	0.42
7	A"	3793	3446	2.51	55.10	0.75	0.86
8	A"	1460	1326	0.38	6.47	0.75	0.86
9	A"	459	417	224.40	1.95	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.008	0.683	0.000
O2	-0.008	-0.717	0.000
H3	-0.919	-0.953	0.000
H4	0.521	0.952	0.805
H5	0.521	0.952	-0.805

	N1	O2	H3	H4	H5
N1		1.4003	1.8724	0.9999	0.9999
O2	1.4003		0.9409	1.9266	1.9266
H3	1.8724	0.9409		2.5193	2.5193
H4	0.9999	1.9266	2.5193		1.6101
H5	0.9999	1.9266	2.5193	1.6101

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	104.507		O2	N1	H4	105.564
O2	N1	H5	105.564		H4	N1	H5	107.247

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: HF/TZVP

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	-0.303
2	O	-0.391
3	H	0.293
4	H	0.201
5	H	0.201

	x	y	z	Total
	0.050	0.703	0.000	0.705
CHELPG
AIM
ESP

	x	y	z
x	1.780	0.331	0.000
y	0.331	2.371	0.000
z	0.000	0.000	1.736

<r²>	20.080
(<r²>)^1/2	4.481

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: HF/TZVP

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)