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	hartrees
Energy at 0K	-150.855461
Energy at 298.15K	-150.856566
HF Energy	-150.855461
Nuclear repulsion energy	32.239134

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3626	3481	27.44
2	A'	1440	1383	32.88
3	A'	1205	1157	31.78

Atom	x (Å)	y (Å)
O1	0.055	-0.607
O2	0.055	0.715
H3	-0.886	-0.871

	O1	O2	H3
O1		1.3221	0.9783
O2	1.3221		1.8451
H3	0.9783	1.8451

Number	Element	Mulliken
1	O	-0.220
2	O	-0.150
3	H	0.370

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

using model chemistry: B3PW91/6-31+G**

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
	-1.850	-1.508	0.000	2.387
CHELPG
AIM
ESP

	x	y	z
x	1.336	0.217	0.000
y	0.217	2.436	0.000
z	0.000	0.000	1.047

<r²>	15.318
(<r²>)^1/2	3.914

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

using model chemistry: B3PW91/6-31+G**

States and conformations

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