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 cation)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		875
	Energy 298.15K		795
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)		0
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)		0
	Nuclear Repulsion Energy		851
	HOMO-LUMO Energies		808
	Barriers to Internal Rotation		0
Geometries	Cartesians		866
	Internal Coordinates		864
	Products of moments of inertia		843
	Rotational Constants		856
	Point Group		872
Vibrations	Vibrational Frequencies		866
	Vibrational Intensities		778
	Zero-point energies		866
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		15
Electronic States	Electronic states	x	288
Electrostatics	Atom charges		526
	Dipole		596
	Quadrupole		520
	Polarizability		541
Other results	Spin		578
	Number of basis functions		83
	Conformations		2	x