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	hartrees
Energy at 0K	-131.779437
Energy at 298.15K
HF Energy	-131.779437
Nuclear repulsion energy	39.208551

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'	3807	3684	43.26	64.23	0.20	0.33
2	A'	3441	3330	1.85	124.56	0.07	0.14
3	A'	1664	1610	14.37	4.36	0.52	0.69
4	A'	1391	1346	26.54	2.88	0.16	0.28
5	A'	1142	1105	123.04	2.00	0.11	0.19
6	A'	924	894	13.32	11.01	0.25	0.40
7	A"	3519	3405	2.75	54.94	0.75	0.86
8	A"	1326	1283	0.09	2.15	0.75	0.86
9	A"	413	400	164.24	0.21	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.010	0.707	0.000
O2	-0.010	-0.738	0.000
H3	-0.948	-0.951	0.000
H4	0.549	0.954	0.812
H5	0.549	0.954	-0.812

	N1	O2	H3	H4	H5
N1		1.4449	1.9046	1.0163	1.0163
O2	1.4449		0.9620	1.9580	1.9580
H3	1.9046	0.9620		2.5549	2.5549
H4	1.0163	1.9580	2.5549		1.6242
H5	1.0163	1.9580	2.5549	1.6242

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	102.766		O2	N1	H4	104.052
O2	N1	H5	104.052		H4	N1	H5	106.080

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: B3LYP/aug-cc-pVTZ

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	-0.174
2	O	-0.332
3	H	0.189
4	H	0.159
5	H	0.159

	x	y	z	Total
	0.113	0.582	0.000	0.593
CHELPG
AIM
ESP

	x	y	z
x	2.710	0.250	0.000
y	0.250	3.282	0.000
z	0.000	0.000	2.529

<r²>	20.984
(<r²>)^1/2	4.581

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)