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 Al₂Cl₆ (Aluminum, di-μ-chlorotetrachlorodi-)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		459
	Energy 298.15K		412
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)	x	0	x
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)	x	0	x
	Nuclear Repulsion Energy		458
	HOMO-LUMO Energies		419
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	454
	Internal Coordinates	x	0	x
	Products of moments of inertia		445
	Rotational Constants		454
	Point Group		462
Vibrations	Vibrational Frequencies		429
	Vibrational Intensities		407
	Zero-point energies		429
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		278
	Dipole		369
	Quadrupole		304
	Polarizability	x	336	x
Other results	Spin		0
	Number of basis functions		31
	Conformations		1