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	hartrees
Energy at 0K	-131.673517
Energy at 298.15K
HF Energy	-131.673517
Nuclear repulsion energy	39.527648

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'	3883	3715	52.17	50.93	0.28	0.43
2	A'	3498	3346	1.53	101.17	0.11	0.20
3	A'	1688	1615	22.82	6.21	0.73	0.84
4	A'	1404	1343	28.51	2.91	0.42	0.59
5	A'	1149	1099	143.09	2.96	0.18	0.30
6	A'	978	936	17.52	12.54	0.26	0.41
7	A"	3592	3436	2.77	59.45	0.75	0.86
8	A"	1346	1287	0.03	6.42	0.75	0.86
9	A"	454	435	208.84	0.27	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.010	0.697	0.000
O2	-0.010	-0.729	0.000
H3	-0.946	-0.945	0.000
H4	0.546	0.949	0.813
H5	0.546	0.949	-0.813

	N1	O2	H3	H4	H5
N1		1.4259	1.8908	1.0164	1.0164
O2	1.4259		0.9615	1.9454	1.9454
H3	1.8908	0.9615		2.5450	2.5450
H4	1.0164	1.9454	2.5450		1.6258
H5	1.0164	1.9454	2.5450	1.6258

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	103.019		O2	N1	H4	104.352
O2	N1	H5	104.352		H4	N1	H5	106.217

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: B1B95/6-31+G**

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	-0.612
2	O	-0.367
3	H	0.364
4	H	0.308
5	H	0.308

	x	y	z	Total
	0.134	0.630	0.000	0.645
CHELPG
AIM
ESP

	x	y	z
x	2.091	0.238	0.000
y	0.238	2.620	0.000
z	0.000	0.000	2.031

<r²>	20.667
(<r²>)^1/2	4.546

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: B1B95/6-31+G**

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)