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

All data (experiment and calculated) in the CCCBDB for CuCl (Copper monochloride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		180
	Energy 298.15K		168
	Atomization Enthalpy 298.15K	x	165	x
	Atomization Enthalpy 0K	x	165	x
	Entropy (298.15K)	x	160	x
	Entropy at any temperature		160
	Integrated Heat Capacity	x	160	x
	Heat Capacity (Cp)	x	160	x
	Nuclear Repulsion Energy		171
	HOMO-LUMO Energies		170
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	170
	Internal Coordinates	x	170	x
	Products of moments of inertia	x	169	x
	Rotational Constants	x	170	x
	Point Group		172
Vibrations	Vibrational Frequencies	x	170	x
	Vibrational Intensities		154
	Zero-point energies	x	170	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		169
	Dipole		94
	Quadrupole		92
	Polarizability		95
Other results	Spin		0
	Number of basis functions		6
	Diagnostics		4
	Conformations		1