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

All data (experiment and calculated) in the CCCBDB for S₂Cl₂ (Disulfur dichloride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		208
	Energy 298.15K		188
	Atomization Enthalpy 298.15K	x	182	x
	Atomization Enthalpy 0K	x	189	x
	Entropy (298.15K)	x	173	x
	Entropy at any temperature		173
	Integrated Heat Capacity	x	173	x
	Heat Capacity (Cp)	x	173	x
	Nuclear Repulsion Energy		188
	HOMO-LUMO Energies		181
	Barriers to Internal Rotation	x	7	x
Geometries	Cartesians	x	181
	Internal Coordinates	x	181	x
	Products of moments of inertia	x	183	x
	Rotational Constants	x	187	x
	Point Group		188
Vibrations	Vibrational Frequencies	x	186	x
	Vibrational Intensities		180
	Zero-point energies	x	186	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		3
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		130
	Dipole		127
	Quadrupole		125
	Polarizability		127
Other results	Spin		0
	Number of basis functions		27
	Diagnostics		5
	Conformations		1