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)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		1031
	Energy 298.15K		999
	Atomization Enthalpy 298.15K	x	38	x
	Atomization Enthalpy 0K	x	54	x
	Entropy (298.15K)	x	1	x
	Entropy at any temperature		1
	Integrated Heat Capacity	x	1	x
	Heat Capacity (Cp)	x	1	x
	Nuclear Repulsion Energy		1002
	HOMO-LUMO Energies		857
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	968
	Internal Coordinates	x	966	x
	Products of moments of inertia	x	981	x
	Rotational Constants	x	999	x
	Point Group		1010
Vibrations	Vibrational Frequencies	fun. har.	995	x
	Vibrational Intensities		1300
	Zero-point energies	x	995	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		10
Electronic States	Electronic states	x	474
Electrostatics	Atom charges		554
	Dipole		622
	Quadrupole		556
	Polarizability		642
Other results	Spin		536
	Number of basis functions		121
	Conformations		1