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	hartrees
Energy at 0K	-131.668939
Energy at 298.15K
HF Energy	-131.668939
Nuclear repulsion energy	39.607155

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'	3876	3712	35.34	57.55	0.28	0.44
2	A'	3475	3328	1.83	97.80	0.11	0.20
3	A'	1681	1610	13.20	8.68	0.54	0.70
4	A'	1430	1370	25.34	3.12	0.74	0.85
5	A'	1174	1124	133.90	2.48	0.74	0.85
6	A'	988	946	13.57	10.04	0.17	0.29
7	A"	3559	3408	0.00	55.34	0.75	0.86
8	A"	1352	1295	0.00	6.91	0.75	0.86
9	A"	407	390	159.94	3.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.011	0.696	0.000
O2	-0.011	-0.728	0.000
H3	-0.947	-0.933	0.000
H4	0.556	0.943	0.806
H5	0.556	0.943	-0.806

	N1	O2	H3	H4	H5
N1		1.4235	1.8783	1.0165	1.0165
O2	1.4235		0.9580	1.9399	1.9399
H3	1.8783	0.9580		2.5354	2.5354
H4	1.0165	1.9399	2.5354		1.6127
H5	1.0165	1.9399	2.5354	1.6127

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	102.359		O2	N1	H4	104.073
O2	N1	H5	104.073		H4	N1	H5	104.987

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: B1B95/6-31G(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	-0.396
2	O	-0.446
3	H	0.318
4	H	0.263
5	H	0.263

	x	y	z	Total
	0.099	0.516	0.000	0.525
CHELPG
AIM
ESP

	x	y	z
x	1.849	0.416	0.000
y	0.416	2.374	0.000
z	0.000	0.000	1.824

<r²>	20.203
(<r²>)^1/2	4.495

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: B1B95/6-31G(2df,p)

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)