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

All data (experiment and calculated) in the CCCBDB for KCl (Potassium Chloride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		143
	Energy 298.15K		132
	Atomization Enthalpy 298.15K	x	120	x
	Atomization Enthalpy 0K		122
	Entropy (298.15K)	x	130	x
	Entropy at any temperature		130
	Integrated Heat Capacity		130
	Heat Capacity (Cp)		130
	Nuclear Repulsion Energy		141
	HOMO-LUMO Energies		141
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	141
	Internal Coordinates	x	141	x
	Products of moments of inertia	x	139	x
	Rotational Constants	x	141	x
	Point Group		142
Vibrations	Vibrational Frequencies	x	141	x
	Vibrational Intensities		136
	Zero-point energies	x	141	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		85
	Dipole	x	85	x
	Quadrupole		85
	Polarizability		86
Other results	Spin		0
	Number of basis functions		17
	Diagnostics		0
	Conformations		1