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 MgOH (magnesium hydroxide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		279
	Energy 298.15K		243
	Atomization Enthalpy 298.15K	x	37	x
	Atomization Enthalpy 0K	x	41	x
	Entropy (298.15K)	x	13	x
	Entropy at any temperature		13
	Integrated Heat Capacity	x	13	x
	Heat Capacity (Cp)	x	13	x
	Nuclear Repulsion Energy		249
	HOMO-LUMO Energies		226
	Barriers to Internal Rotation		430
Geometries	Cartesians	x	232
	Internal Coordinates	x	231	x
	Products of moments of inertia	x	232	x
	Rotational Constants	x	241	x
	Point Group		260
Vibrations	Vibrational Frequencies	fun.	239	x
	Vibrational Intensities		387
	Zero-point energies		239
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		171
	Dipole		174
	Quadrupole		168
	Polarizability		194
Other results	Spin		251
	Number of basis functions		29
	Conformations		1