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 LiH (Lithium Hydride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		907
	Energy 298.15K		873
	Atomization Enthalpy 298.15K	x	40	x
	Atomization Enthalpy 0K	x	43	x
	Entropy (298.15K)	x	18	x
	Entropy at any temperature		18
	Integrated Heat Capacity	x	18	x
	Heat Capacity (Cp)	x	18	x
	Nuclear Repulsion Energy		883
	HOMO-LUMO Energies		788
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	841
	Internal Coordinates	x	841	x
	Products of moments of inertia	x	865	x
	Rotational Constants	x	874	x
	Point Group		894
Vibrations	Vibrational Frequencies	fun. har.	873	x
	Vibrational Intensities		925
	Zero-point energies	x	873	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		442
	Dipole	x	510	x
	Quadrupole		444
	Polarizability		507
Other results	Spin		15
	Number of basis functions		101
	Conformations		1