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 AlH₂ (aluminum dihydride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		321
	Energy 298.15K		281
	Atomization Enthalpy 298.15K	x	27	x
	Atomization Enthalpy 0K	x	31	x
	Entropy (298.15K)	x	24	x
	Entropy at any temperature		24
	Integrated Heat Capacity	x	24	x
	Heat Capacity (Cp)	x	24	x
	Nuclear Repulsion Energy		293
	HOMO-LUMO Energies		249
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	270
	Internal Coordinates	x	269	x
	Products of moments of inertia	x	263	x
	Rotational Constants	x	273	x
	Point Group		301
Vibrations	Vibrational Frequencies	fun.	268	x
	Vibrational Intensities		434
	Zero-point energies	x	268	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		161
	Dipole		181
	Quadrupole		174
	Polarizability		202
Other results	Spin		296
	Number of basis functions		46
	Conformations		1