CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-796.59	3.90	kJ mol^-1	Gurvich
Hfg(0K)	-796.69	3.90	kJ mol^-1	Gurvich
Entropy (298.15K)	227.28		J K^-1 mol^-1	Gurvich
Integrated Heat Capacity (0 to 298.15K)	10.88		kJ mol^-1	Gurvich
Heat Capacity (298.15K)	45.88		J K^-1 mol^-1	Gurvich

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_g	769		webbook
2	Σ_u	1555		webbook
3	Π_u	343		webbook

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rBeF	1.400	0.030	1	2			Gurvich

Atom	x (Å)	y (Å)	z (Å)
Be1	0.0000	0.0000	0.0000
F2	0.0000	0.0000	1.4000
F3	0.0000	0.0000	-1.4000

	Be1	F2	F3
Be1		1.4000	1.4000
F2	1.4000		2.8000
F3	1.4000	2.8000

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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You are here: Experimental > One molecule all properties

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	¹Σ_g	D_∞h	True							D_∞h	0	1

squib	reference	DOI
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 BeF2 (Beryllium fluoride)

Experimental data for BeF₂ (Beryllium fluoride)