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 BeO⁺ (Beryllium monoxide cation)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		448
	Energy 298.15K		190
	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		441
	HOMO-LUMO Energies		415
	Barriers to Internal Rotation		0
Geometries	Cartesians		422
	Internal Coordinates		421
	Products of moments of inertia		415
	Rotational Constants		424
	Point Group		445
Vibrations	Vibrational Frequencies		190
	Vibrational Intensities		403
	Zero-point energies		190
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		244
	Dipole		342
	Quadrupole		295
	Polarizability		311
Other results	Spin		444
	Number of basis functions		89
	Conformations		1