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 Mg(OH)₂ (Magnesium dihydroxide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		569
	Energy 298.15K		254
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)		0
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)		0
	Nuclear Repulsion Energy		558
	HOMO-LUMO Energies		559
	Barriers to Internal Rotation		0
Geometries	Cartesians		563
	Internal Coordinates		563
	Products of moments of inertia		550
	Rotational Constants		559
	Point Group		570
Vibrations	Vibrational Frequencies		506
	Vibrational Intensities		481
	Zero-point energies		506
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		14
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		378
	Dipole		489
	Quadrupole		437
	Polarizability		380
Other results	Spin		0
	Number of basis functions		37
	Conformations		3	x