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 MgCl (magnesium monochloride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		193
	Energy 298.15K		174
	Atomization Enthalpy 298.15K	x	116	x
	Atomization Enthalpy 0K	x	122	x
	Entropy (298.15K)	x	110	x
	Entropy at any temperature		110
	Integrated Heat Capacity	x	110	x
	Heat Capacity (Cp)	x	110	x
	Nuclear Repulsion Energy		163
	HOMO-LUMO Energies		156
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	162
	Internal Coordinates	x	161	x
	Products of moments of inertia	x	159	x
	Rotational Constants	x	163	x
	Point Group		172
Vibrations	Vibrational Frequencies	har.	162	x
	Vibrational Intensities		230
	Zero-point energies	x	162	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		94
	Dipole		111
	Quadrupole		112
	Polarizability		171
Other results	Spin		108
	Number of basis functions		22
	Conformations		1