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)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		1119
	Energy 298.15K		996
	Atomization Enthalpy 298.15K	x	28	x
	Atomization Enthalpy 0K	x	30	x
	Entropy (298.15K)	x	23	x
	Entropy at any temperature		23
	Integrated Heat Capacity	x	23	x
	Heat Capacity (Cp)	x	23	x
	Nuclear Repulsion Energy		1092
	HOMO-LUMO Energies		872
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	1067
	Internal Coordinates	x	1052	x
	Products of moments of inertia	x	1061	x
	Rotational Constants	x	1071	x
	Point Group		1100
Vibrations	Vibrational Frequencies	fun. har.	1068	x
	Vibrational Intensities		1115
	Zero-point energies	x	1068	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		527
	Dipole	x	657	x
	Quadrupole	x	552	x
	Polarizability	x	629	x
Other results	Spin		1
	Number of basis functions		102
	Conformations		1