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

All data (experiment and calculated) in the CCCBDB for MgCl (magnesium monochloride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		236
	Energy 298.15K		213
	Atomization Enthalpy 298.15K	x	207	x
	Atomization Enthalpy 0K	x	215	x
	Entropy (298.15K)	x	194	x
	Entropy at any temperature		194
	Integrated Heat Capacity	x	194	x
	Heat Capacity (Cp)	x	194	x
	Nuclear Repulsion Energy		205
	HOMO-LUMO Energies		177
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	189
	Internal Coordinates	x	189	x
	Products of moments of inertia	x	198	x
	Rotational Constants	x	202	x
	Point Group		208
Vibrations	Vibrational Frequencies	x	201	x
	Vibrational Intensities		185
	Zero-point energies	x	201	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		142
	Dipole		138
	Quadrupole		141
	Polarizability		124
Other results	Spin		134
	Number of basis functions		32
	Diagnostics		5
	Conformations		1