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'	357		webbook					SbCl₃ s-str
2	A₁'	307							SbCl₂ s-str
3	A₂"	384							SbCl₂ a-str
4	A₂"	154							SbCl₃ op-deform
5	E'	398							SbCl₃ d-str
6	E'	177							SbCl₃ d-deform
7	E'	72							SbCl bend
8	E"	165							SbCl bend

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rSbCl	2.338	0.007	1	2			1982Iva/Ish:144-147	axial re
rSbCl	2.277	0.005	1	3			1982Iva/Ish:144-147	equatorial re
aClSbCl	90		2	1	3			by symmetry
aClSbCl	120		3	1	4			by symmetry

Atom	x (Å)	y (Å)	z (Å)
Sb1	0.0000	0.0000	0.0000
Cl2	0.0000	0.0000	2.3380
Cl3	0.0000	2.2770	0.0000
Cl4	1.9719	-1.1385	0.0000
Cl5	-1.9719	-1.1385	0.0000
Cl6	0.0000	0.0000	-2.3380

	Sb1	Cl2	Cl3	Cl4	Cl5	Cl6
Sb1		2.3380	2.2770	2.2770	2.2770	2.3380
Cl2	2.3380		3.2636	3.2636	3.2636	4.6760
Cl3	2.2770	3.2636		3.9439	3.9439	3.2636
Cl4	2.2770	3.2636	3.9439		3.9439	3.2636
Cl5	2.2770	3.2636	3.9439	3.9439		3.2636
Cl6	2.3380	4.6760	3.2636	3.2636	3.2636

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	Sb1	Cl3	90.000	Cl2	Sb1	Cl4	90.000
Cl2	Sb1	Cl5	90.000	Cl2	Sb1	Cl6	180.000
Cl3	Sb1	Cl4	120.000	Cl3	Sb1	Cl5	120.000
Cl3	Sb1	Cl6	90.000	Cl4	Sb1	Cl5	120.000
Cl4	Sb1	Cl6	90.000	Cl5	Sb1	Cl6	90.000

	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							D_3h	0	1

squib	reference	DOI
1982Iva/Ish:144-147	LS Ivashkevich, AA Ishchenko, VP Spiridonov, TG Strand, AA Ivanov, AN Nikolaev "Electron diffraction study of the structure and pseudorotation of antimony pentachloride in the gas phase" Zhurnal Strukturnoi Khimii 1982, 23(2), 144-147
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for SbCl5 (Antimony pentachloride)

Experimental data for SbCl₅ (Antimony pentachloride)