CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-584.59	2.90	kJ mol^-1	JANAF
Hfg(0K)	-582.85	2.90	kJ mol^-1	JANAF
Entropy (298.15K)	314.49	2.90	J K^-1 mol^-1	JANAF
Integrated Heat Capacity (0 to 298.15K)	16.75		kJ mol^-1	JANAF
Heat Capacity (298.15K)	71.88		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'	375		Shim
2	A₂"	183		Shim
3	E'	595		Shim
4	E'	150		Shim

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rAlCl	2.060		1	2			1976Hellwege(II/7)

Atom	x (Å)	y (Å)
Al1	0.0000	0.0000
Cl2	0.0000	2.0600
Cl3	1.7840	-1.0300
Cl4	-1.7840	-1.0300

	Al1	Cl2	Cl3	Cl4
Al1		2.0600	2.0600	2.0600
Cl2	2.0600		3.5680	3.5680
Cl3	2.0600	3.5680		3.5680
Cl4	2.0600	3.5680	3.5680

	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
1976Hellwege(II/7)	Hellwege, KH and AM Hellwege (ed.). Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 7: Structure Data of Free Polyatomic Molecules. Springer-Verlag. Berlin. 1976.
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
Shim	Shimanouchi, T. , Tables of Molecular Vibrational Frequencies, Consolidated Volu	10.6028/NBS.NSRDS.39
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for AlCl3 (Aluminum trichloride)

Experimental data for AlCl₃ (Aluminum trichloride)