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

All data (experiment and calculated) in the CCCBDB for Na₂Cl₂ (Disodium dichloride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		182
	Energy 298.15K		168
	Atomization Enthalpy 298.15K	x	167	x
	Atomization Enthalpy 0K	x	170	x
	Entropy (298.15K)	x	161	x
	Entropy at any temperature		161
	Integrated Heat Capacity	x	161	x
	Heat Capacity (Cp)	x	161	x
	Nuclear Repulsion Energy		166
	HOMO-LUMO Energies		155
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	149
	Internal Coordinates	x	149	x
	Products of moments of inertia		158
	Rotational Constants		160
	Point Group		165
Vibrations	Vibrational Frequencies		160
	Vibrational Intensities		158
	Zero-point energies		160
	Vibrational scaling factors
	Anharmonic frequencies and constants		2
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		133
	Dipole		133
	Quadrupole		129
	Polarizability		118
Other results	Spin		0
	Number of basis functions		25
	Diagnostics		4
	Conformations		1