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 BeF₂ (Beryllium fluoride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		363
	Energy 298.15K		355
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)	x	0	x
	Entropy at any temperature		0
	Integrated Heat Capacity	x	0	x
	Heat Capacity (Cp)	x	0	x
	Nuclear Repulsion Energy		362
	HOMO-LUMO Energies		365
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	365
	Internal Coordinates	x	364	x
	Products of moments of inertia		355
	Rotational Constants		364
	Point Group		366
Vibrations	Vibrational Frequencies	fun.	362	x
	Vibrational Intensities		333
	Zero-point energies	x	362	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		227
	Dipole		297
	Quadrupole		264
	Polarizability		267
Other results	Spin		0
	Number of basis functions		31
	Conformations		1