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	hartrees
Energy at 0K	-150.113785
Energy at 298.15K	-150.114843
HF Energy	-150.113785
Nuclear repulsion energy	31.161190

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3939	3556	54.68
2	A'	1521	1373	50.91
3	A'	898	810	24.19

Atom	x (Å)	y (Å)
O1	0.053	-0.622
O2	0.053	0.742
H3	-0.842	-0.963

	O1	O2	H3
O1		1.3635	0.9576
O2	1.3635		1.9257
H3	0.9576	1.9257

Number	Element	Mulliken
1	O	-0.420
2	O	-0.021
3	H	0.441

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

using model chemistry: HF/6-31G

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
	-2.212	-0.781	0.000	2.345
CHELPG	-2.165	-0.771	0.000	2.298
AIM
ESP

	x	y	z
x	0.767	0.261	0.000
y	0.261	2.033	0.000
z	0.000	0.000	0.454

<r²>	15.951
(<r²>)^1/2	3.994

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

using model chemistry: HF/6-31G

States and conformations

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