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 MgF (Magnesium monofluoride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		190
	Energy 298.15K		171
	Atomization Enthalpy 298.15K	x	111	x
	Atomization Enthalpy 0K	x	119	x
	Entropy (298.15K)	x	92	x
	Entropy at any temperature		92
	Integrated Heat Capacity	x	92	x
	Heat Capacity (Cp)	x	92	x
	Nuclear Repulsion Energy		152
	HOMO-LUMO Energies		145
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	143
	Internal Coordinates	x	142	x
	Products of moments of inertia	x	148	x
	Rotational Constants	x	152	x
	Point Group		162
Vibrations	Vibrational Frequencies	har.	152	x
	Vibrational Intensities		240
	Zero-point energies	x	152	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		86
	Dipole		101
	Quadrupole		102
	Polarizability		178
Other results	Spin		101
	Number of basis functions		59
	Conformations		1