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 Li₂O⁺ (dilithium oxide cation)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		381
	Energy 298.15K		351
	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		377
	HOMO-LUMO Energies		361
	Barriers to Internal Rotation		0
Geometries	Cartesians		373
	Internal Coordinates		373
	Products of moments of inertia		354
	Rotational Constants		360
	Point Group		381
Vibrations	Vibrational Frequencies		374
	Vibrational Intensities		532
	Zero-point energies		374
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		235
	Dipole		302
	Quadrupole		269
	Polarizability		269
Other results	Spin		380
	Number of basis functions		58
	Conformations		1