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	hartrees
Energy at 0K	-131.674585
Energy at 298.15K
HF Energy	-131.674585
Nuclear repulsion energy	39.446292

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'	3844	3696	33.11	57.27	0.28	0.44
2	A'	3445	3312	2.16	99.23	0.11	0.20
3	A'	1674	1609	13.14	9.01	0.53	0.69
4	A'	1426	1371	24.98	3.12	0.74	0.85
5	A'	1172	1127	133.28	2.36	0.75	0.86
6	A'	970	933	12.60	9.99	0.17	0.29
7	A"	3529	3393	0.02	56.30	0.75	0.86
8	A"	1346	1294	0.01	7.07	0.75	0.86
9	A"	403	387	159.48	2.99	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.011	0.699	0.000
O2	-0.011	-0.731	0.000
H3	-0.951	-0.933	0.000
H4	0.560	0.945	0.808
H5	0.560	0.945	-0.808

	N1	O2	H3	H4	H5
N1		1.4306	1.8837	1.0196	1.0196
O2	1.4306		0.9609	1.9464	1.9464
H3	1.8837	0.9609		2.5422	2.5422
H4	1.0196	1.9464	2.5422		1.6160
H5	1.0196	1.9464	2.5422	1.6160

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	102.142		O2	N1	H4	103.928
O2	N1	H5	103.928		H4	N1	H5	104.841

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: B3PW91/6-31G(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	-0.414
2	O	-0.446
3	H	0.321
4	H	0.270
5	H	0.270

	x	y	z	Total
	0.112	0.511	0.000	0.524
CHELPG
AIM
ESP

	x	y	z
x	1.867	0.415	0.000
y	0.415	2.396	0.000
z	0.000	0.000	1.837

<r²>	20.318
(<r²>)^1/2	4.508

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)