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	hartrees
Energy at 0K	-131.596452
Energy at 298.15K
HF Energy	-131.475226
Nuclear repulsion energy	39.176857

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'	3809	3650	38.90	58.53	0.31	0.47
2	A'	3433	3290	2.14	109.17	0.12	0.21
3	A'	1672	1602	12.54	9.16	0.57	0.72
4	A'	1415	1356	22.07	3.82	0.73	0.85
5	A'	1172	1123	122.76	1.84	0.74	0.85
6	A'	937	898	10.08	12.92	0.19	0.32
7	A"	3515	3368	0.44	64.59	0.75	0.86
8	A"	1338	1282	0.04	7.49	0.75	0.86
9	A"	383	367	172.48	4.55	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.013	0.706	0.000
O2	0.013	-0.737	0.000
H3	0.959	-0.929	0.000
H4	-0.574	0.941	0.807
H5	-0.574	0.941	-0.807

	N1	O2	H3	H4	H5
N1		1.4438	1.8898	1.0247	1.0247
O2	1.4438		0.9661	1.9523	1.9523
H3	1.8898	0.9661		2.5494	2.5494
H4	1.0247	1.9523	2.5494		1.6135
H5	1.0247	1.9523	2.5494	1.6135

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	101.446		O2	N1	H4	103.228
O2	N1	H5	103.228		H4	N1	H5	103.868

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: B2PLYP=FULLultrafine/cc-pVDZ

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	-0.090
2	O	-0.288
3	H	0.172
4	H	0.103
5	H	0.103

	x	y	z	Total
	-0.119	0.570	0.000	0.582
CHELPG
AIM
ESP

	x	y	z
x	1.710	-0.458	-0.001
y	-0.458	2.265	0.001
z	-0.001	0.001	1.590

<r²>	20.537
(<r²>)^1/2	4.532

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: B2PLYP=FULLultrafine/cc-pVDZ

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)