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	hartrees
Energy at 0K	-150.054818
Energy at 298.15K	-150.055891
HF Energy	-150.054818
Nuclear repulsion energy	29.742176

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3069	3052	5.11
2	A'	1268	1261	27.71
3	A'	1028	1023	19.03

Atom	x (Å)	y (Å)
O1	0.057	-0.649
O2	0.057	0.768
H3	-0.915	-0.956

	O1	O2	H3
O1		1.4174	1.0192
O2	1.4174		1.9795
H3	1.0192	1.9795

Number	Element	Mulliken
1	O	-0.241
2	O	-0.121
3	H	0.362

All results from a given calculation for HO₂ (Hydroperoxy radical)

using model chemistry: BLYP/3-21G

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
You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-1.890	-1.215	0.000	2.247
CHELPG
AIM
ESP

	x	y	z
x	0.910	0.364	0.000
y	0.364	2.019	0.000
z	0.000	0.000	0.339

<r²>	16.412
(<r²>)^1/2	4.051

All results from a given calculation for HO2 (Hydroperoxy radical)

using model chemistry: BLYP/3-21G

States and conformations

All results from a given calculation for HO₂ (Hydroperoxy radical)