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	hartrees
Energy at 0K	-150.926573
Energy at 298.15K	-150.927659
HF Energy	-150.926573
Nuclear repulsion energy	31.500890

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3393	3386	10.01
2	A'	1366	1363	35.62
3	A'	1065	1063	15.42

Atom	x (Å)	y (Å)
O1	0.056	-0.623
O2	0.056	0.733
H3	-0.903	-0.877

	O1	O2	H3
O1		1.3558	0.9929
O2	1.3558		1.8745
H3	0.9929	1.8745

Number	Element	Mulliken
1	O	0.019
2	O	-0.181
3	H	0.162

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

using model chemistry: BLYP/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
You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-1.652	-1.505	0.000	2.235
CHELPG
AIM
ESP

	x	y	z
x	1.815	0.271	0.000
y	0.271	2.857	0.000
z	0.000	0.000	1.416

<r²>	15.881
(<r²>)^1/2	3.985

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

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

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