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 AlFCl₂ (Aluminum dichloride fluoride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		265
	Energy 298.15K		255
	Atomization Enthalpy 298.15K	x	191	x
	Atomization Enthalpy 0K	x	195	x
	Entropy (298.15K)	x	183	x
	Entropy at any temperature		183
	Integrated Heat Capacity	x	183	x
	Heat Capacity (Cp)	x	183	x
	Nuclear Repulsion Energy		227
	HOMO-LUMO Energies		223
	Barriers to Internal Rotation		0
Geometries	Cartesians		211
	Internal Coordinates		210
	Products of moments of inertia		221
	Rotational Constants		226
	Point Group		226
Vibrations	Vibrational Frequencies	fun.	219	x
	Vibrational Intensities		229
	Zero-point energies	x	219	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		181
	Dipole		183
	Quadrupole		177
	Polarizability		167
Other results	Spin		0
	Number of basis functions		6
	Conformations		1