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 GaAs (Gallium arsenide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		1360
	Energy 298.15K		291
	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		1360
	HOMO-LUMO Energies		1156
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	1360
	Internal Coordinates	x	1360	x
	Products of moments of inertia	x	1346	x
	Rotational Constants	x	1360	x
	Point Group		1362
Vibrations	Vibrational Frequencies	fun. har.	1355	x
	Vibrational Intensities		1730
	Zero-point energies	x	1355	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		816
Electronic States	Electronic states	x	673
Electrostatics	Atom charges		799
	Dipole		1052
	Quadrupole		864
	Polarizability		719
Other results	Spin		687
	Number of basis functions		65
	Conformations		1