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

All data (experiment and calculated) in the CCCBDB for AlH₃ (aluminum trihydride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		286
	Energy 298.15K		268
	Atomization Enthalpy 298.15K	x	263	x
	Atomization Enthalpy 0K	x	269	x
	Entropy (298.15K)	x	251	x
	Entropy at any temperature		251
	Integrated Heat Capacity	x	251	x
	Heat Capacity (Cp)	x	251	x
	Nuclear Repulsion Energy		250
	HOMO-LUMO Energies		227
	Barriers to Internal Rotation		0
Geometries	Cartesians		227
	Internal Coordinates		227
	Products of moments of inertia		228
	Rotational Constants		232
	Point Group		233
Vibrations	Vibrational Frequencies	x	230	x
	Vibrational Intensities		196
	Zero-point energies	x	230	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		1
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		156
	Dipole	x	147	x
	Quadrupole		144
	Polarizability		134
Other results	Spin		11
	Number of basis functions		35
	Diagnostics		6
	Conformations		1