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 K₂O₂ (dipotassium dioxide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		341
	Energy 298.15K		8
	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		341
	HOMO-LUMO Energies		0
	Barriers to Internal Rotation		0
Geometries	Cartesians		341
	Internal Coordinates		0
	Products of moments of inertia		335
	Rotational Constants		341
	Point Group		342
Vibrations	Vibrational Frequencies	fun.	341	x
	Vibrational Intensities		319
	Zero-point energies		341
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		259
Electronic States	Electronic states		0
Electrostatics	Atom charges		207
	Dipole		273
	Quadrupole		238
	Polarizability		205
Other results	Spin		0
	Number of basis functions		23
	Conformations		1