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

All data (experiment and calculated) in the CCCBDB for SCl (sulfur monochloride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		274
	Energy 298.15K		248
	Atomization Enthalpy 298.15K	x	241	x
	Atomization Enthalpy 0K	x	254	x
	Entropy (298.15K)	x	233	x
	Entropy at any temperature		233
	Integrated Heat Capacity	x	233	x
	Heat Capacity (Cp)	x	233	x
	Nuclear Repulsion Energy		223
	HOMO-LUMO Energies		207
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	196
	Internal Coordinates	x	196	x
	Products of moments of inertia	x	207	x
	Rotational Constants	x	211	x
	Point Group		214
Vibrations	Vibrational Frequencies	x	205	x
	Vibrational Intensities		189
	Zero-point energies	x	205	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		167
	Dipole		150
	Quadrupole		145
	Polarizability		132
Other results	Spin		165
	Number of basis functions		32
	Diagnostics		6
	Conformations		1