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	hartrees
Energy at 0K	-150.237204
Energy at 298.15K	-150.238305
HF Energy	-150.237204
Nuclear repulsion energy	32.420555

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3411	3384	12.65
2	A'	1390	1379	31.37
3	A'	1179	1170	18.58

Atom	x (Å)	y (Å)
O1	0.056	-0.600
O2	0.056	0.709
H3	-0.897	-0.872

	O1	O2	H3
O1		1.3098	0.9910
O2	1.3098		1.8467
H3	0.9910	1.8467

Number	Element	Mulliken
1	O	-0.020
2	O	-0.218
3	H	0.238

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

using model chemistry: SVWN/aug-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
You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-1.686	-1.634	0.000	2.348
CHELPG
AIM
ESP

	x	y	z
x	1.865	0.275	0.000
y	0.275	2.740	0.000
z	0.000	0.000	1.487

<r²>	15.304
(<r²>)^1/2	3.912

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

using model chemistry: SVWN/aug-cc-pVTZ

States and conformations

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