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	hartrees
Energy at 0K	-131.720748
Energy at 298.15K
HF Energy	-131.720748
Nuclear repulsion energy	39.106620

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'	3776	3644	25.06	60.12	0.29	0.45
2	A'	3398	3279	2.85	104.31	0.11	0.20
3	A'	1671	1612	12.82	9.83	0.51	0.68
4	A'	1419	1369	19.03	3.76	0.74	0.85
5	A'	1177	1136	127.20	1.93	0.74	0.85
6	A'	928	896	10.32	11.23	0.19	0.31
7	A"	3477	3356	0.87	59.70	0.75	0.86
8	A"	1328	1281	0.01	7.70	0.75	0.86
9	A"	383	369	154.70	3.27	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.012	0.710	0.000
O2	-0.012	-0.740	0.000
H3	-0.958	-0.931	0.000
H4	0.570	0.940	0.808
H5	0.570	0.940	-0.808

	N1	O2	H3	H4	H5
N1		1.4497	1.8941	1.0224	1.0224
O2	1.4497		0.9653	1.9529	1.9529
H3	1.8941	0.9653		2.5476	2.5476
H4	1.0224	1.9529	2.5476		1.6162
H5	1.0224	1.9529	2.5476	1.6162

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	101.422		O2	N1	H4	103.002
O2	N1	H5	103.002		H4	N1	H5	104.443

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: TPSSh/6-31G(2df,p)

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	-0.409
2	O	-0.447
3	H	0.320
4	H	0.268
5	H	0.268

	x	y	z	Total
	0.138	0.517	0.000	0.535
CHELPG
AIM
ESP

	x	y	z
x	1.924	0.429	0.000
y	0.429	2.473	0.000
z	0.000	0.000	1.874

<r²>	20.567
(<r²>)^1/2	4.535

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: TPSSh/6-31G(2df,p)

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)