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 MgH (magnesium monohydride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		744
	Energy 298.15K		709
	Atomization Enthalpy 298.15K	x	30	x
	Atomization Enthalpy 0K	x	34	x
	Entropy (298.15K)	x	9	x
	Entropy at any temperature		9
	Integrated Heat Capacity	x	9	x
	Heat Capacity (Cp)	x	9	x
	Nuclear Repulsion Energy		721
	HOMO-LUMO Energies		584
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	701
	Internal Coordinates	x	701	x
	Products of moments of inertia	x	703	x
	Rotational Constants	x	712	x
	Point Group		726
Vibrations	Vibrational Frequencies	fun. har.	709	x
	Vibrational Intensities		783
	Zero-point energies	x	709	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		12
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		399
	Dipole		498
	Quadrupole		409
	Polarizability		432
Other results	Spin		720
	Number of basis functions		42
	Conformations		1