Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All data (experiment and calculated) in the CCCBDB for HO₂ (Hydroperoxy radical)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		695
	Energy 298.15K		555
	Atomization Enthalpy 298.15K	x	51	x
	Atomization Enthalpy 0K	x	54	x
	Entropy (298.15K)	x	18	x
	Entropy at any temperature		18
	Integrated Heat Capacity	x	18	x
	Heat Capacity (Cp)	x	18	x
	Nuclear Repulsion Energy		657
	HOMO-LUMO Energies		531
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	611
	Internal Coordinates	x	610	x
	Products of moments of inertia	x	617	x
	Rotational Constants	x	628	x
	Point Group		660
Vibrations	Vibrational Frequencies	fun.	561	x
	Vibrational Intensities		663
	Zero-point energies	x	561	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		8
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		370
	Dipole		420
	Quadrupole		351
	Polarizability		389
Other results	Spin		658
	Number of basis functions		83
	Conformations		2	x