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 BeF (Beryllium monofluoride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		297
	Energy 298.15K		274
	Atomization Enthalpy 298.15K	x	38	x
	Atomization Enthalpy 0K	x	48	x
	Entropy (298.15K)	x	19	x
	Entropy at any temperature		19
	Integrated Heat Capacity	x	19	x
	Heat Capacity (Cp)	x	19	x
	Nuclear Repulsion Energy		266
	HOMO-LUMO Energies		240
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	250
	Internal Coordinates	x	249	x
	Products of moments of inertia	x	251	x
	Rotational Constants	x	260	x
	Point Group		274
Vibrations	Vibrational Frequencies	har.	260	x
	Vibrational Intensities		405
	Zero-point energies	x	260	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		162
	Dipole		180
	Quadrupole		174
	Polarizability		201
Other results	Spin		265
	Number of basis functions		62
	Conformations		1