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	hartrees
Energy at 0K	-150.170910
Energy at 298.15K	-150.172023
HF Energy	-150.170910
Nuclear repulsion energy	32.606874

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4085	3491	56.17
2	A'	1603	1370	59.52
3	A'	1252	1070	39.34

Atom	x (Å)	y (Å)
O1	0.054	-0.602
O2	0.054	0.710
H3	-0.860	-0.860

	O1	O2	H3
O1		1.3118	0.9494
O2	1.3118		1.8163
H3	0.9494	1.8163

Number	Element	Mulliken
1	O	-0.299
2	O	-0.071
3	H	0.370

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

using model chemistry: ROHF/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
	-1.851	-0.925	0.000	2.069
CHELPG
AIM
ESP

<r²>	14.915
(<r²>)^1/2	3.862

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

using model chemistry: ROHF/6-31G**

States and conformations

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