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 LiBr (Lithium Bromide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		705
	Energy 298.15K		40
	Atomization Enthalpy 298.15K	x	24	x
	Atomization Enthalpy 0K		32
	Entropy (298.15K)	x	13	x
	Entropy at any temperature		13
	Integrated Heat Capacity		13
	Heat Capacity (Cp)	x	13	x
	Nuclear Repulsion Energy		691
	HOMO-LUMO Energies		586
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	677
	Internal Coordinates	x	677	x
	Products of moments of inertia	x	676	x
	Rotational Constants	x	685	x
	Point Group		692
Vibrations	Vibrational Frequencies	fun. har.	676	x
	Vibrational Intensities		794
	Zero-point energies	x	676	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		430
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		367
	Dipole	x	520	x
	Quadrupole		422
	Polarizability		437
Other results	Spin		1
	Number of basis functions		86
	Conformations		1