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 CaBr₂ (Calcium dibromide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		490
	Energy 298.15K		9
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)	x	0	x
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)		0
	Nuclear Repulsion Energy		490
	HOMO-LUMO Energies		441
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	490
	Internal Coordinates	x	490	x
	Products of moments of inertia		483
	Rotational Constants		490
	Point Group		491
Vibrations	Vibrational Frequencies	fun.	490	x
	Vibrational Intensities		441
	Zero-point energies		490
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		336
Electronic States	Electronic states		0
Electrostatics	Atom charges		276
	Dipole		390
	Quadrupole		316
	Polarizability		328
Other results	Spin		0
	Number of basis functions		27
	Conformations		1