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 BeN⁺ (Beryllium mononitride cation)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		950
	Energy 298.15K		899
	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		946
	HOMO-LUMO Energies		790
	Barriers to Internal Rotation		0
Geometries	Cartesians		940
	Internal Coordinates		940
	Products of moments of inertia		899
	Rotational Constants		915
	Point Group		954
Vibrations	Vibrational Frequencies		915
	Vibrational Intensities		790
	Zero-point energies		915
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		10
Electronic States	Electronic states	x	493
Electrostatics	Atom charges		561
	Dipole		698
	Quadrupole		592
	Polarizability		557
Other results	Spin		463
	Number of basis functions		128
	Conformations		1