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

All data (experiment and calculated) in the CCCBDB for ClS₂ (Sulfur chloride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		243
	Energy 298.15K		218
	Atomization Enthalpy 298.15K	x	215	x
	Atomization Enthalpy 0K	x	225	x
	Entropy (298.15K)	x	206	x
	Entropy at any temperature		206
	Integrated Heat Capacity	x	206	x
	Heat Capacity (Cp)	x	206	x
	Nuclear Repulsion Energy		211
	HOMO-LUMO Energies		189
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	182
	Internal Coordinates	x	182	x
	Products of moments of inertia	x	188	x
	Rotational Constants	x	191	x
	Point Group		196
Vibrations	Vibrational Frequencies	x	188	x
	Vibrational Intensities		181
	Zero-point energies	x	188	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		4
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		159
	Dipole		143
	Quadrupole		149
	Polarizability		126
Other results	Spin		153
	Number of basis functions		25
	Diagnostics		4
	Conformations		1