CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference	Comment
Hfg(298.15K)	-232.27	10.00	kJ mol^-1	Gurvich	from average of D0 values ranging from 445 to 470
Hfg(0K)	-231.82	10.00	kJ mol^-1	Gurvich	from average of D0 values ranging from 445 to 470
Entropy (298.15K)	221.09		J K^-1 mol^-1	Gurvich
Integrated Heat Capacity (0 to 298.15K)	8.97		kJ mol^-1	Gurvich
Heat Capacity (298.15K)	32.58		J K^-1 mol^-1	Gurvich	from average of D0 values ranging from 445 to 470

Mode Number	Symmetry	Frequency			Intensity			Comment	Description
Mode Number	Symmetry	Fundamental(cm^-1)	Harmonic(cm^-1)	Reference	(km mol^-1)	unc.	Reference	Comment	Description
1	Σ		712	1979HUB/HER

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rMgF	1.750		1	2			1979HUB/HER	re

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.0000	0.0000	0.0000
F2	0.0000	0.0000	1.7500

	Mg1	F2
Mg1		1.7500
F2	1.7500

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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State	Config	State description	Conf description	Exp. min.	Dipole (Debye)				Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	x	y	z	total	Reference	comment	Point Group	dipole	quadrupole
1	1	²Σ	C_∞v	True							C_∞v	1	1

squib	reference	DOI
1979HUB/HER	Huber, K.P.; Herzberg, G., Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules, Van Nostrand Reinhold Co., 1979	10.1007/978-1-4757-0961-2
Gurvich	Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for MgF (Magnesium monofluoride)