CCCBDB listing of experimental data page 2

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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		410	1945Herzberg
2	A₁		193
3	E		370
4	E		159

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rClAs	2.166	0.003	1	2			1976Hellwege(II/7)
aClAsCl	98.6	0.4	2	1	3		1976Hellwege(II/7)

Atom	x (Å)	y (Å)	z (Å)
As1	0.0000	0.0000	0.6355
Cl2	0.0000	1.8957	-0.4112
Cl3	1.6417	-0.9479	-0.4112
Cl4	-1.6417	-0.9479	-0.4112

	As1	Cl2	Cl3	Cl4
As1		2.1655	2.1655	2.1655
Cl2	2.1655		3.2835	3.2835
Cl3	2.1655	3.2835		3.2835
Cl4	2.1655	3.2835	3.2835

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	As1	Cl3	98.600		Cl2	As1	Cl4	98.600
Cl3	As1	Cl4	98.600

	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	C_3v	True				1.590	NSRDS-NBS10	DT	C_3v	1	1

squib	reference	DOI
1945Herzberg	G Herzberg" Molecular Spectra and Molecular Structure II. Infrared and Raman Spectra of polyatomic molecules" 1945 Van Nostrand.
1950Kis/Tow:1109	P Kisliuk, CH Townes "The microwave Spectra and Molecular Structure of Phosphorus and Arsenic Trichloride" J. Chem. Phys. 18(8) 1109, 1950	10.1063/1.1747872
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.
1998Gus/Rui:163	M Gussoni, R Rui, G Zerbi "Electronic and relaxation contribution to linear molecular polarizability. An analysis of the experimental values" J. Mol. Struct. 447 (1998) 163-215	10.1016/S0022-2860(97)00292-5
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

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Experimental data for AsCl3 (Arsenous trichloride)

Experimental data for AsCl₃ (Arsenous trichloride)