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

All data (experiment and calculated) in the CCCBDB for CS (carbon monosulfide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		309
	Energy 298.15K		293
	Atomization Enthalpy 298.15K	x	266	x
	Atomization Enthalpy 0K	x	272	x
	Entropy (298.15K)	x	279	x
	Entropy at any temperature		279
	Integrated Heat Capacity	x	279	x
	Heat Capacity (Cp)	x	279	x
	Nuclear Repulsion Energy		277
	HOMO-LUMO Energies		269
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	249
	Internal Coordinates	x	249	x
	Products of moments of inertia	x	253	x
	Rotational Constants	x	260	x
	Point Group		279
Vibrations	Vibrational Frequencies	x	259	x
	Vibrational Intensities		219
	Zero-point energies	x	259	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		160
	Dipole	x	259	x
	Quadrupole	x	147	x
	Polarizability		175
Other results	Spin		12
	Number of basis functions		33
	Diagnostics		6
	Conformations		1