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

All data (experiment and calculated) in the CCCBDB for SO₂Cl₂ (Sulfuryl chloride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		198
	Energy 298.15K		180
	Atomization Enthalpy 298.15K	x	175	x
	Atomization Enthalpy 0K	x	184	x
	Entropy (298.15K)	x	178	x
	Entropy at any temperature		178
	Integrated Heat Capacity	x	178	x
	Heat Capacity (Cp)	x	178	x
	Nuclear Repulsion Energy		179
	HOMO-LUMO Energies		170
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	162
	Internal Coordinates	x	162	x
	Products of moments of inertia	x	170	x
	Rotational Constants	x	174	x
	Point Group		176
Vibrations	Vibrational Frequencies	x	174	x
	Vibrational Intensities		172
	Zero-point energies	x	174	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		3
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		144
	Dipole		146
	Quadrupole		141
	Polarizability		126
Other results	Spin		0
	Number of basis functions		25
	Diagnostics		4
	Conformations		1