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	hartrees
Energy at 0K	-131.700039
Energy at 298.15K
HF Energy	-131.700039
Nuclear repulsion energy	38.422503

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'	3663	3644	35.53	52.29	0.28	0.44
2	A'	3315	3298	4.66	108.87	0.11	0.20
3	A'	1615	1607	21.81	6.56	0.73	0.84
4	A'	1343	1336	23.43	3.25	0.31	0.47
5	A'	1110	1104	121.95	1.95	0.14	0.25
6	A'	836	832	12.96	16.23	0.25	0.40
7	A"	3404	3386	0.32	65.36	0.75	0.86
8	A"	1269	1263	0.01	7.11	0.75	0.86
9	A"	418	415	197.41	0.13	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.011	0.727	0.000
O2	-0.011	-0.756	0.000
H3	-0.969	-0.951	0.000
H4	0.570	0.954	0.820
H5	0.570	0.954	-0.820

	N1	O2	H3	H4	H5
N1		1.4825	1.9320	1.0309	1.0309
O2	1.4825		0.9776	1.9839	1.9839
H3	1.9320	0.9776		2.5834	2.5834
H4	1.0309	1.9839	2.5834		1.6402
H5	1.0309	1.9839	2.5834	1.6402

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	101.522		O2	N1	H4	102.756
O2	N1	H5	102.756		H4	N1	H5	105.405

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: BLYP/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	-0.341
3	H	0.349
4	H	0.302
5	H	0.302

	x	y	z	Total
	0.186	0.652	0.000	0.678
CHELPG
AIM
ESP

	x	y	z
x	2.341	0.228	0.000
y	0.228	2.939	0.000
z	0.000	0.000	2.225

<r²>	21.675
(<r²>)^1/2	4.656

All results from a given calculation for NH2OH (hydroxylamine)

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

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)