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

All data (experiment and calculated) in the CCCBDB for LiCl (lithium chloride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		228
	Energy 298.15K		209
	Atomization Enthalpy 298.15K	x	203	x
	Atomization Enthalpy 0K	x	210	x
	Entropy (298.15K)	x	190	x
	Entropy at any temperature		190
	Integrated Heat Capacity	x	190	x
	Heat Capacity (Cp)	x	190	x
	Nuclear Repulsion Energy		200
	HOMO-LUMO Energies		180
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	183
	Internal Coordinates	x	183	x
	Products of moments of inertia	x	194	x
	Rotational Constants	x	198	x
	Point Group		198
Vibrations	Vibrational Frequencies	x	196	x
	Vibrational Intensities		180
	Zero-point energies	x	196	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		136
	Dipole	x	140	x
	Quadrupole		136
	Polarizability		124
Other results	Spin		15
	Number of basis functions		33
	Diagnostics		5
	Conformations		1