Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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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		584
	Energy 298.15K		537
	Atomization Enthalpy 298.15K	x	23	x
	Atomization Enthalpy 0K	x	23	x
	Entropy (298.15K)	x	16	x
	Entropy at any temperature		16
	Integrated Heat Capacity	x	16	x
	Heat Capacity (Cp)	x	16	x
	Nuclear Repulsion Energy		556
	HOMO-LUMO Energies		457
	Barriers to Internal Rotation		0
Geometries	Cartesians		532
	Internal Coordinates		532
	Products of moments of inertia		524
	Rotational Constants		534
	Point Group		562
Vibrations	Vibrational Frequencies	fun.	531	x
	Vibrational Intensities		655
	Zero-point energies	x	531	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		283
	Dipole	x	369	x
	Quadrupole		302
	Polarizability		349
Other results	Spin		0
	Number of basis functions		132
	Conformations		1