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 Cl₂⁺ (chlorine diatomic cation)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		874
	Energy 298.15K		829
	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		870
	HOMO-LUMO Energies		712
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	807
	Internal Coordinates	x	724	x
	Products of moments of inertia	x	846	x
	Rotational Constants	x	855	x
	Point Group		871
Vibrations	Vibrational Frequencies	fun. har.	853	x
	Vibrational Intensities		1054
	Zero-point energies	x	853	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		488
	Dipole		592
	Quadrupole		486
	Polarizability		484
Other results	Spin		869
	Number of basis functions		102
	Conformations		1