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	hartrees
Energy at 0K	-129.811658
Energy at 298.15K
HF Energy	-129.811658
Nuclear repulsion energy	38.012689

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'	3761	3321	26.99	42.62	0.31	0.47
2	A'	3417	3018	19.02	58.20	0.11	0.20
3	A'	1850	1634	2.83	14.27	0.70	0.82
4	A'	1563	1381	6.28	10.13	0.73	0.85
5	A'	1264	1116	54.19	2.56	0.75	0.85
6	A'	1142	1008	8.20	7.51	0.16	0.27
7	A"	3604	3182	26.46	34.48	0.75	0.86
8	A"	1389	1226	2.46	10.01	0.75	0.86
9	A"	229	203	120.25	7.70	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.016	0.723	0.000
O2	-0.016	-0.754	0.000
H3	-1.030	-0.905	0.000
H4	0.638	0.940	0.820
H5	0.638	0.940	-0.820

	N1	O2	H3	H4	H5
N1		1.4771	1.9176	1.0716	1.0716
O2	1.4771		1.0251	1.9927	1.9927
H3	1.9176	1.0251		2.6190	2.6190
H4	1.0716	1.9927	2.6190		1.6406
H5	1.0716	1.9927	2.6190	1.6406

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	98.444		O2	N1	H4	101.679
O2	N1	H5	101.679		H4	N1	H5	99.903

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: HSEh1PBE/STO-3G

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	-0.290
2	O	-0.204
3	H	0.186
4	H	0.154
5	H	0.154

	x	y	z	Total
	0.433	0.147	0.000	0.457
CHELPG
AIM
ESP

	x	y	z
x	1.085	0.589	0.000
y	0.589	1.336	0.000
z	0.000	0.000	0.877

<r²>	20.706
(<r²>)^1/2	4.550

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: HSEh1PBE/STO-3G

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)