CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-1209.32	2.50	kJ mol^-1	JANAF
Hfg(0K)	-1205.60	2.50	kJ mol^-1	JANAF
Entropy (298.15K)	276.69	0.80	J K^-1 mol^-1	JANAF
Integrated Heat Capacity (0 to 298.15K)	14.29		kJ mol^-1	JANAF
Heat Capacity (298.15K)	62.24		J K^-1 mol^-1	JANAF

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	A₁'	690		1967Buc/Mar:4139
2	A₂"	297		1967Buc/Mar:4139
3	E'	935		1967Buc/Mar:4139
4	E'	263		1967Buc/Mar:4139

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rAlF	1.630		1	2			1989Har/Kol:75

Atom	x (Å)	y (Å)
Al1	0.0000	0.0000
F2	0.0000	1.6300
F3	1.4116	-0.8150
F4	-1.4116	-0.8150

	Al1	F2	F3	F4
Al1		1.6300	1.6300	1.6300
F2	1.6300		2.8232	2.8232
F3	1.6300	2.8232		2.8232
F4	1.6300	2.8232	2.8232

	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	¹A₁^'	D_3h	True				0.000	NSRDS-NBS10		D_3h	0	1

squib	reference	DOI
1967Buc/Mar:4139	Buchler A, Marram EP, and Stauffer JL. The Sublimation of Aluminum Trifluoride and the Infrared Spectrum of AlF3(g). J. Phys. Chem. Vol. 71 # 12. Pgs. 4139-4142	10.1021/j100871a072
1989Har/Kol:75	M Hargittai, M Kolonitis, J Tremmel, J Forquet, G Ferey, "The molecular geometry of Iron trifluoride from Electron Diffraction and a reinvestigation of Aluminum Trifluoride" Struct. Chem. 1, 75, 1989	10.1007/BF00675786
JANAF	Chase, M.W., Jr.; Davies, C.A.; Downey, J.R., Jr.; Frurip, D.J.; McDonald, R.A.; Syverud, A.N., JANAF Thermochemical Tables (Third Edition), J. Phys. Chem. Ref. Data,Suppl. 1, 1985, 14, 1.
NSRDS-NBS10	R. D. Nelson Jr., D. R. Lide, A. A. Maryott "Selected Values of electric dipole moments for molecules in the gas phase" NSRDS-NBS10, 1967	10.6028/NBS.NSRDS.10
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Al1	F3	120.000		F2	Al1	F4	120.000
F3	Al1	F4	120.000

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Experimental data for AlF3 (Aluminum trifluoride)

Experimental data for AlF₃ (Aluminum trifluoride)