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	hartrees
Energy at 0K	-131.694285
Energy at 298.15K
HF Energy	-131.694285
Nuclear repulsion energy	39.370725

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'	3831	3695	40.92	63.60	0.20	0.33
2	A'	3447	3325	3.07	123.53	0.08	0.14
3	A'	1646	1588	12.63	4.95	0.50	0.66
4	A'	1394	1345	26.30	2.69	0.22	0.36
5	A'	1145	1104	125.58	2.11	0.16	0.28
6	A'	957	923	13.77	9.04	0.24	0.38
7	A"	3532	3407	1.52	54.60	0.75	0.86
8	A"	1335	1288	0.04	2.70	0.75	0.86
9	A"	407	393	163.63	0.29	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.011	0.700	0.000
O2	-0.011	-0.732	0.000
H3	-0.951	-0.945	0.000
H4	0.556	0.949	0.812
H5	0.556	0.949	-0.812

	N1	O2	H3	H4	H5
N1		1.4323	1.8945	1.0215	1.0215
O2	1.4323		0.9637	1.9508	1.9508
H3	1.8945	0.9637		2.5525	2.5525
H4	1.0215	1.9508	2.5525		1.6249
H5	1.0215	1.9508	2.5525	1.6249

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	102.743		O2	N1	H4	104.057
O2	N1	H5	104.057		H4	N1	H5	105.383

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: B3PW91/aug-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	0.131
2	O	-0.434
3	H	0.146
4	H	0.078
5	H	0.078

	x	y	z	Total
	0.118	0.546	0.000	0.558
CHELPG
AIM
ESP

	x	y	z
x	2.639	0.265	0.000
y	0.265	3.150	0.000
z	0.000	0.000	2.443

<r²>	20.779
(<r²>)^1/2	4.558

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: B3PW91/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)