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 Be₂⁺ (Beryllium diatomic cation)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		116
	Energy 298.15K		78
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)		5
	Entropy at any temperature		5
	Integrated Heat Capacity		5
	Heat Capacity (Cp)		5
	Nuclear Repulsion Energy		102
	HOMO-LUMO Energies		79
	Barriers to Internal Rotation		0
Geometries	Cartesians		108
	Internal Coordinates		88
	Products of moments of inertia		74
	Rotational Constants		77
	Point Group		106
Vibrations	Vibrational Frequencies		78
	Vibrational Intensities		271
	Zero-point energies		78
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	13
Electrostatics	Atom charges		59
	Dipole		62
	Quadrupole		54
	Polarizability		216
Other results	Spin		85
	Number of basis functions		122
	Conformations		1