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	hartrees
Energy at 0K	-131.576416
Energy at 298.15K
HF Energy	-131.576416
Nuclear repulsion energy	38.928387

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'	3697	3659	21.81	59.24	0.28	0.44
2	A'	3316	3282	4.16	105.69	0.11	0.20
3	A'	1618	1601	11.07	11.29	0.50	0.67
4	A'	1386	1372	19.00	4.02	0.74	0.85
5	A'	1149	1137	119.44	2.21	0.75	0.85
6	A'	898	889	10.17	8.82	0.18	0.31
7	A"	3397	3362	1.41	59.91	0.75	0.86
8	A"	1295	1282	0.13	8.63	0.75	0.86
9	A"	375	371	145.12	3.33	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.013	0.712	0.000
O2	-0.013	-0.743	0.000
H3	-0.967	-0.928	0.000
H4	0.580	0.943	0.810
H5	0.580	0.943	-0.810

	N1	O2	H3	H4	H5
N1		1.4545	1.8971	1.0305	1.0305
O2	1.4545		0.9717	1.9621	1.9621
H3	1.8971	0.9717		2.5594	2.5594
H4	1.0305	1.9621	2.5594		1.6206
H5	1.0305	1.9621	2.5594	1.6206

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	101.002		O2	N1	H4	102.966
O2	N1	H5	102.966		H4	N1	H5	103.690

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: PBEPBE/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	-0.406
2	O	-0.401
3	H	0.301
4	H	0.253
5	H	0.253

	x	y	z	Total
	0.136	0.468	0.000	0.487
CHELPG
AIM
ESP

	x	y	z
x	1.972	0.440	0.000
y	0.440	2.464	0.000
z	0.000	0.000	1.903

<r²>	20.717
(<r²>)^1/2	4.552

All results from a given calculation for NH2OH (hydroxylamine)

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

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)