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	hartrees
Energy at 0K	-131.685218
Energy at 298.15K
HF Energy	-131.530043
Nuclear repulsion energy	39.232675

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'	3827	3827	45.11	64.67	0.18	0.30
2	A'	3468	3468	1.53	124.75	0.07	0.13
3	A'	1670	1670	15.00	4.07	0.53	0.69
4	A'	1397	1397	25.71	3.18	0.12	0.22
5	A'	1150	1150	123.19	1.86	0.08	0.15
6	A'	924	924	12.79	12.03	0.23	0.37
7	A"	3552	3552	3.91	50.75	0.75	0.86
8	A"	1331	1331	0.14	1.89	0.75	0.86
9	A"	412	412	165.43	0.15	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	-0.949	-0.945	0.000
H4	0.550	0.950	0.811
H5	0.550	0.950	-0.811

	N1	O2	H3	H4	H5
N1		1.4452	1.8997	1.0149	1.0149
O2	1.4452		0.9611	1.9548	1.9548
H3	1.8997	0.9611		2.5482	2.5482
H4	1.0149	1.9548	2.5482		1.6211
H5	1.0149	1.9548	2.5482	1.6211

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	102.399		O2	N1	H4	103.856
O2	N1	H5	103.856		H4	N1	H5	106.006

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: B2PLYP/daug-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	-0.160
2	O	-0.746
3	H	0.372
4	H	0.267
5	H	0.267

	x	y	z	Total
	0.125	0.592	0.000	0.605
CHELPG
AIM
ESP

	x	y	z
x	2.703	0.240	0.000
y	0.240	3.280	0.000
z	0.000	0.000	2.542

<r²>	20.967
(<r²>)^1/2	4.579

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: B2PLYP/daug-cc-pVTZ

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)