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 BC⁺ (boron monocarbide cation)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		392
	Energy 298.15K		344
	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		356
	Barriers to Internal Rotation		0
Geometries	Cartesians		364
	Internal Coordinates		352
	Products of moments of inertia		341
	Rotational Constants		352
	Point Group		385
Vibrations	Vibrational Frequencies		353
	Vibrational Intensities		528
	Zero-point energies		353
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		10
Electronic States	Electronic states	x	300
Electrostatics	Atom charges		216
	Dipole		240
	Quadrupole		231
	Polarizability		383
Other results	Spin		84
	Number of basis functions		99
	Conformations		1