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 AlCl₃ (Aluminum trichloride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		268
	Energy 298.15K		257
	Atomization Enthalpy 298.15K	x	194	x
	Atomization Enthalpy 0K	x	199	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	x	212
	Internal Coordinates	x	211	x
	Products of moments of inertia		220
	Rotational Constants		225
	Point Group		225
Vibrations	Vibrational Frequencies	fun.	218	x
	Vibrational Intensities		227
	Zero-point energies	x	218	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	x	183	x
	Quadrupole		177
	Polarizability		167
Other results	Spin		0
	Number of basis functions		6
	Conformations		1