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 TiCl (Titanium Monochloride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		465
	Energy 298.15K		437
	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		464
	HOMO-LUMO Energies		398
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	453
	Internal Coordinates	x	453	x
	Products of moments of inertia	x	450	x
	Rotational Constants	x	453	x
	Point Group		465
Vibrations	Vibrational Frequencies	fun.	453	x
	Vibrational Intensities		402
	Zero-point energies	x	453	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		286
	Dipole		368
	Quadrupole		302
	Polarizability		285
Other results	Spin		464
	Number of basis functions		23
	Conformations		1