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

All data (experiment and calculated) in the CCCBDB for CCl (carbon monochloride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		265
	Energy 298.15K		244
	Atomization Enthalpy 298.15K	x	237	x
	Atomization Enthalpy 0K	x	245	x
	Entropy (298.15K)	x	229	x
	Entropy at any temperature		229
	Integrated Heat Capacity	x	229	x
	Heat Capacity (Cp)	x	229	x
	Nuclear Repulsion Energy		227
	HOMO-LUMO Energies		206
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	202
	Internal Coordinates	x	202	x
	Products of moments of inertia	x	202	x
	Rotational Constants	x	206	x
	Point Group		210
Vibrations	Vibrational Frequencies	x	205	x
	Vibrational Intensities		195
	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		149
	Quadrupole		153
	Polarizability		136
Other results	Spin		146
	Number of basis functions		32
	Diagnostics		6
	Conformations		1