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 BN⁺ (boron nitride cation)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		108
	Energy 298.15K		69
	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		95
	HOMO-LUMO Energies		72
	Barriers to Internal Rotation		0
Geometries	Cartesians		101
	Internal Coordinates		82
	Products of moments of inertia		67
	Rotational Constants		70
	Point Group		99
Vibrations	Vibrational Frequencies		71
	Vibrational Intensities		252
	Zero-point energies		71
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	13
Electrostatics	Atom charges		53
	Dipole		56
	Quadrupole		51
	Polarizability		195
Other results	Spin		97
	Number of basis functions		121
	Conformations		1