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 KBr (Potassium Bromide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		169
	Energy 298.15K		165
	Atomization Enthalpy 298.15K	x	106	x
	Atomization Enthalpy 0K		106
	Entropy (298.15K)	x	121	x
	Entropy at any temperature		121
	Integrated Heat Capacity		121
	Heat Capacity (Cp)		121
	Nuclear Repulsion Energy		164
	HOMO-LUMO Energies		167
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	167
	Internal Coordinates	x	166	x
	Products of moments of inertia	x	161	x
	Rotational Constants	x	165	x
	Point Group		168
Vibrations	Vibrational Frequencies	fun. har.	165	x
	Vibrational Intensities		168
	Zero-point energies	x	165	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		2
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		106
	Dipole	x	111	x
	Quadrupole		107
	Polarizability		111
Other results	Spin		0
	Number of basis functions		7
	Conformations		1