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 TiCl₄ (Titanium tetrachloride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		204
	Energy 298.15K		190
	Atomization Enthalpy 298.15K	x	139	x
	Atomization Enthalpy 0K		142
	Entropy (298.15K)	x	138	x
	Entropy at any temperature		138
	Integrated Heat Capacity		138
	Heat Capacity (Cp)	x	138	x
	Nuclear Repulsion Energy		195
	HOMO-LUMO Energies		196
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	196
	Internal Coordinates	x	196	x
	Products of moments of inertia		197
	Rotational Constants		198
	Point Group		199
Vibrations	Vibrational Frequencies	fun.	194	x
	Vibrational Intensities		195
	Zero-point energies	x	194	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		185
	Dipole		128
	Quadrupole		122
	Polarizability	x	131	x
Other results	Spin		0
	Number of basis functions		5
	Conformations		1