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 AlGa (Aluminum Gallium)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		932
	Energy 298.15K		29
	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		932
	HOMO-LUMO Energies		801
	Barriers to Internal Rotation		0
Geometries	Cartesians		932
	Internal Coordinates		932
	Products of moments of inertia		917
	Rotational Constants		931
	Point Group		934
Vibrations	Vibrational Frequencies		507
	Vibrational Intensities		442
	Zero-point energies		507
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		33
Electronic States	Electronic states	x	429
Electrostatics	Atom charges		522
	Dipole		729
	Quadrupole		585
	Polarizability		574
Other results	Spin		503
	Number of basis functions		56
	Conformations		1