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	hartrees
Energy at 0K	-131.558292
Energy at 298.15K
HF Energy	-131.558292
Nuclear repulsion energy	38.818089

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'	3633	3581	15.81	67.66	0.31	0.48
2	A'	3295	3248	6.71	116.19	0.12	0.21
3	A'	1657	1633	14.29	16.23	0.52	0.69
4	A'	1407	1386	16.93	6.73	0.75	0.86
5	A'	1165	1149	127.68	3.13	0.72	0.83
6	A'	898	885	10.89	9.99	0.19	0.32
7	A"	3389	3340	5.28	67.91	0.75	0.86
8	A"	1307	1288	0.25	12.73	0.75	0.86
9	A"	398	392	178.81	5.47	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.013	0.714	0.000
O2	-0.013	-0.744	0.000
H3	-0.974	-0.927	0.000
H4	0.582	0.940	0.813
H5	0.582	0.940	-0.813

	N1	O2	H3	H4	H5
N1		1.4585	1.9025	1.0326	1.0326
O2	1.4585		0.9786	1.9628	1.9628
H3	1.9025	0.9786		2.5636	2.5636
H4	1.0326	1.9628	2.5636		1.6261
H5	1.0326	1.9628	2.5636	1.6261

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	100.798		O2	N1	H4	102.638
O2	N1	H5	102.638		H4	N1	H5	103.873

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: PBEPBE/6-31G*

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	-0.506
2	O	-0.528
3	H	0.405
4	H	0.314
5	H	0.314

	x	y	z	Total
	0.194	0.505	0.000	0.542
CHELPG
AIM
ESP

	x	y	z
x	1.765	0.479	0.000
y	0.479	2.250	0.000
z	0.000	0.000	1.670

<r²>	20.831
(<r²>)^1/2	4.564

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: PBEPBE/6-31G*

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)