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 LiMg (Lithium magnesium)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		349
	Energy 298.15K		341
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)		0
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)		0
	Nuclear Repulsion Energy		346
	HOMO-LUMO Energies		349
	Barriers to Internal Rotation		0
Geometries	Cartesians		349
	Internal Coordinates		348
	Products of moments of inertia		341
	Rotational Constants		348
	Point Group		350
Vibrations	Vibrational Frequencies		346
	Vibrational Intensities		322
	Zero-point energies		346
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		229
	Dipole		289
	Quadrupole		258
	Polarizability		267
Other results	Spin		349
	Number of basis functions		28
	Conformations		1