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

All data (experiment and calculated) in the CCCBDB for AlCl (Aluminum monochloride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		273
	Energy 298.15K		7
	Atomization Enthalpy 298.15K	x	0	x
	Atomization Enthalpy 0K	x	0	x
	Entropy (298.15K)	x	0	x
	Entropy at any temperature		0
	Integrated Heat Capacity	x	0	x
	Heat Capacity (Cp)	x	0	x
	Nuclear Repulsion Energy		272
	HOMO-LUMO Energies		272
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	272
	Internal Coordinates	x	272	x
	Products of moments of inertia	x	267	x
	Rotational Constants	x	272	x
	Point Group		273
Vibrations	Vibrational Frequencies	x	272	x
	Vibrational Intensities		252
	Zero-point energies	x	272	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		169
	Dipole		169
	Quadrupole		169
	Polarizability		169
Other results	Spin		4
	Number of basis functions		33
	Diagnostics		6
	Conformations		1