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

All data (experiment and calculated) in the CCCBDB for AlO (Aluminum monoxide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		266
	Energy 298.15K		235
	Atomization Enthalpy 298.15K	x	231	x
	Atomization Enthalpy 0K	x	246	x
	Entropy (298.15K)	x	221	x
	Entropy at any temperature		221
	Integrated Heat Capacity	x	221	x
	Heat Capacity (Cp)	x	221	x
	Nuclear Repulsion Energy		233
	HOMO-LUMO Energies		208
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	201
	Internal Coordinates	x	201	x
	Products of moments of inertia	x	210	x
	Rotational Constants	x	214	x
	Point Group		216
Vibrations	Vibrational Frequencies	x	211	x
	Vibrational Intensities		201
	Zero-point energies	x	211	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		170
	Dipole		149
	Quadrupole		155
	Polarizability		139
Other results	Spin		155
	Number of basis functions		32
	Diagnostics		5
	Conformations		1