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

All data (experiment and calculated) in the CCCBDB for KBr (Potassium Bromide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		141
	Energy 298.15K		132
	Atomization Enthalpy 298.15K	x	112	x
	Atomization Enthalpy 0K		112
	Entropy (298.15K)	x	128	x
	Entropy at any temperature		128
	Integrated Heat Capacity		128
	Heat Capacity (Cp)		128
	Nuclear Repulsion Energy		139
	HOMO-LUMO Energies		139
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	139
	Internal Coordinates	x	139	x
	Products of moments of inertia	x	137	x
	Rotational Constants	x	139	x
	Point Group		140
Vibrations	Vibrational Frequencies	x	139	x
	Vibrational Intensities		136
	Zero-point energies	x	139	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