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 GaP (Gallium monophosphide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		975
	Energy 298.15K		905
	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		975
	HOMO-LUMO Energies		805
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	954
	Internal Coordinates	x	954	x
	Products of moments of inertia		925
	Rotational Constants		938
	Point Group		979
Vibrations	Vibrational Frequencies	fun.	936	x
	Vibrational Intensities		859
	Zero-point energies		936
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	472
Electrostatics	Atom charges		539
	Dipole		750
	Quadrupole		603
	Polarizability		523
Other results	Spin		503
	Number of basis functions		56
	Conformations		1