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 GaF₃ (Gallium trifluoride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		632
	Energy 298.15K		95
	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		632
	HOMO-LUMO Energies		558
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	632
	Internal Coordinates	x	632	x
	Products of moments of inertia	x	625	x
	Rotational Constants	x	632	x
	Point Group		633
Vibrations	Vibrational Frequencies	fun.	626	x
	Vibrational Intensities		838
	Zero-point energies		626
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		430
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		369
	Dipole		521
	Quadrupole		426
	Polarizability		437
Other results	Spin		0
	Number of basis functions		32
	Conformations		1