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

All data (experiment and calculated) in the CCCBDB for AlH₂ (aluminum dihydride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		279
	Energy 298.15K		255
	Atomization Enthalpy 298.15K	x	252	x
	Atomization Enthalpy 0K	x	262	x
	Entropy (298.15K)	x	243	x
	Entropy at any temperature		243
	Integrated Heat Capacity	x	243	x
	Heat Capacity (Cp)	x	243	x
	Nuclear Repulsion Energy		244
	HOMO-LUMO Energies		237
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	221
	Internal Coordinates	x	221	x
	Products of moments of inertia	x	221	x
	Rotational Constants	x	225	x
	Point Group		226
Vibrations	Vibrational Frequencies	x	225	x
	Vibrational Intensities		201
	Zero-point energies	x	225	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		3
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		167
	Dipole		149
	Quadrupole		154
	Polarizability		137
Other results	Spin		147
	Number of basis functions		32
	Diagnostics		6
	Conformations		1