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 H₃O₂⁺ (hydrogen peroxide, protonated)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		286
	Energy 298.15K		9
	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		283
	HOMO-LUMO Energies		286
	Barriers to Internal Rotation		0
Geometries	Cartesians		286
	Internal Coordinates		285
	Products of moments of inertia		279
	Rotational Constants		286
	Point Group		287
Vibrations	Vibrational Frequencies		282
	Vibrational Intensities		270
	Zero-point energies		282
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		173
	Dipole		187
	Quadrupole		182
	Polarizability		218
Other results	Spin		1
	Number of basis functions		27
	Conformations		1