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

All data (experiment and calculated) in the CCCBDB for NaBr (Sodium Bromide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		247
	Energy 298.15K		224
	Atomization Enthalpy 298.15K	x	209	x
	Atomization Enthalpy 0K		219
	Entropy (298.15K)	x	209	x
	Entropy at any temperature		209
	Integrated Heat Capacity		209
	Heat Capacity (Cp)	x	209	x
	Nuclear Repulsion Energy		231
	HOMO-LUMO Energies		215
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	217
	Internal Coordinates	x	217	x
	Products of moments of inertia	x	227	x
	Rotational Constants	x	231	x
	Point Group		232
Vibrations	Vibrational Frequencies	x	216	x
	Vibrational Intensities		190
	Zero-point energies	x	216	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		194
	Dipole	x	121	x
	Quadrupole		121
	Polarizability		122
Other results	Spin		11
	Number of basis functions		27
	Diagnostics		5
	Conformations		1