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	hartrees
Energy at 0K	-149.919544
Energy at 298.15K	-149.920623
HF Energy	-149.919544
Nuclear repulsion energy	29.961774

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3117	3089	2.64
2	A'	1285	1274	27.78
3	A'	1054	1045	21.28

Atom	x (Å)	y (Å)
O1	0.059	-0.660
O2	0.059	0.771
H3	-0.936	-0.888

	O1	O2	H3
O1		1.4316	1.0203
O2	1.4316		1.9346
H3	1.0203	1.9346

Number	Element	Mulliken
1	O	-0.251
2	O	-0.125
3	H	0.376

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

using model chemistry: PBEPBE/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
	-1.936	-1.253	0.000	2.307
CHELPG
AIM
ESP

	x	y	z
x	0.890	0.351	0.000
y	0.351	1.996	0.000
z	0.000	0.000	0.340

<r²>	16.279
(<r²>)^1/2	4.035

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

using model chemistry: PBEPBE/3-21G

States and conformations

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