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

All data (experiment and calculated) in the CCCBDB for CaCl (calcium monochloride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		191
	Energy 298.15K		5
	Atomization Enthalpy 298.15K	x	0	x
	Atomization Enthalpy 0K		0
	Entropy (298.15K)	x	0	x
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)		0
	Nuclear Repulsion Energy		189
	HOMO-LUMO Energies		189
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	189
	Internal Coordinates	x	189	x
	Products of moments of inertia	x	187	x
	Rotational Constants	x	189	x
	Point Group		190
Vibrations	Vibrational Frequencies	x	189	x
	Vibrational Intensities		158
	Zero-point energies	x	189	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		105
	Dipole	x	105	x
	Quadrupole		105
	Polarizability		96
Other results	Spin		189
	Number of basis functions		17
	Diagnostics		0
	Conformations		1