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

All data (experiment and calculated) in the CCCBDB for AlH (aluminum monohydride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		306
	Energy 298.15K		254
	Atomization Enthalpy 298.15K	x	247	x
	Atomization Enthalpy 0K	x	255	x
	Entropy (298.15K)	x	241	x
	Entropy at any temperature		241
	Integrated Heat Capacity	x	241	x
	Heat Capacity (Cp)	x	241	x
	Nuclear Repulsion Energy		273
	HOMO-LUMO Energies		266
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	250
	Internal Coordinates	x	250	x
	Products of moments of inertia	x	251	x
	Rotational Constants	x	255	x
	Point Group		256
Vibrations	Vibrational Frequencies	x	253	x
	Vibrational Intensities		224
	Zero-point energies	x	253	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		179
	Dipole		170
	Quadrupole		166
	Polarizability		157
Other results	Spin		13
	Number of basis functions		34
	Diagnostics		6
	Conformations		1