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 BeH₂ (beryllium dihydride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		452
	Energy 298.15K		430
	Atomization Enthalpy 298.15K	x	58	x
	Atomization Enthalpy 0K	x	61	x
	Entropy (298.15K)	x	38	x
	Entropy at any temperature		38
	Integrated Heat Capacity	x	38	x
	Heat Capacity (Cp)	x	38	x
	Nuclear Repulsion Energy		427
	HOMO-LUMO Energies		366
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	407
	Internal Coordinates	x	407	x
	Products of moments of inertia	x	409	x
	Rotational Constants	x	417	x
	Point Group		434
Vibrations	Vibrational Frequencies	fun.	416	x
	Vibrational Intensities		530
	Zero-point energies		416
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		244
	Dipole	x	278	x
	Quadrupole		255
	Polarizability	x	286	x
Other results	Spin		0
	Number of basis functions		90
	Conformations		1