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	hartrees
Energy at 0K	-150.709514
Energy at 298.15K	-150.710579
HF Energy	-150.709514
Nuclear repulsion energy	30.458455

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3260	3215	2.22
2	A'	1331	1312	34.39
3	A'	967	954	17.28

Atom	x (Å)	y (Å)
O1	0.057	-0.647
O2	0.057	0.761
H3	-0.913	-0.913

	O1	O2	H3
O1		1.4076	1.0058
O2	1.4076		1.9342
H3	1.0058	1.9342

Number	Element	Mulliken
1	O	-0.270
2	O	-0.132
3	H	0.401

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

using model chemistry: PBEPBE/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
	-2.065	-1.416	0.000	2.504
CHELPG
AIM
ESP

	x	y	z
x	0.952	0.334	0.000
y	0.334	2.258	0.000
z	0.000	0.000	0.446

<r²>	16.276
(<r²>)^1/2	4.034

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

using model chemistry: PBEPBE/6-31G

States and conformations

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