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	hartrees
Energy at 0K	-131.584735
Energy at 298.15K
HF Energy	-131.584735
Nuclear repulsion energy	38.837081

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'	3707	3664	38.84	50.78	0.28	0.43
2	A'	3347	3308	4.23	108.67	0.11	0.19
3	A'	1624	1605	21.59	7.01	0.72	0.84
4	A'	1354	1339	24.93	3.35	0.31	0.48
5	A'	1114	1101	127.35	2.44	0.14	0.24
6	A'	886	876	13.79	12.17	0.25	0.40
7	A"	3440	3401	0.68	63.87	0.75	0.86
8	A"	1288	1273	0.02	7.23	0.75	0.86
9	A"	432	427	196.56	0.12	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.011	0.713	0.000
O2	-0.011	-0.744	0.000
H3	-0.966	-0.943	0.000
H4	0.566	0.952	0.819
H5	0.566	0.952	-0.819

	N1	O2	H3	H4	H5
N1		1.4576	1.9120	1.0297	1.0297
O2	1.4576		0.9751	1.9696	1.9696
H3	1.9120	0.9751		2.5704	2.5704
H4	1.0297	1.9696	2.5704		1.6379
H5	1.0297	1.9696	2.5704	1.6379

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	101.772		O2	N1	H4	103.375
O2	N1	H5	103.375		H4	N1	H5	105.368

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: PBEPBE/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	-0.638
2	O	-0.341
3	H	0.356
4	H	0.311
5	H	0.311

	x	y	z	Total
	0.174	0.607	0.000	0.631
CHELPG
AIM
ESP

	x	y	z
x	2.297	0.223	0.000
y	0.223	2.800	0.000
z	0.000	0.000	2.188

<r²>	21.288
(<r²>)^1/2	4.614

All results from a given calculation for NH2OH (hydroxylamine)

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

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)