I.B.3. (II.A.2.)

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		309
	Energy 298.15K		271
	Atomization Enthalpy 298.15K	x	262	x
	Atomization Enthalpy 0K	x	264	x
	Entropy (298.15K)	x	255	x
	Entropy at any temperature		255
	Integrated Heat Capacity	x	255	x
	Heat Capacity (Cp)	x	255	x
	Nuclear Repulsion Energy		273
	HOMO-LUMO Energies		243
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	244
	Internal Coordinates	x	244	x
	Products of moments of inertia	x	251	x
	Rotational Constants	x	255	x
	Point Group		257
Vibrations	Vibrational Frequencies	x	254	x
	Vibrational Intensities		223
	Zero-point energies	x	254	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		178
	Dipole	x	171	x
	Quadrupole	x	166	x
	Polarizability		153
Other results	Spin		7
	Number of basis functions		35
	Diagnostics		6
	Conformations		1