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	A	750		webbook
2	A	560		webbook
5	B	653		webbook
6	B	419		webbook

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rOCl	1.704	0.001	1	3			1998Kuc
rOO	1.426	0.002	1	2			1998Kuc
aOOCl	110.07	0.01	1	2	4		1998Kuc
dClOOCl	81.03	0.08	3	1	2	4	1998Kuc

Atom	x (Å)	y (Å)	z (Å)
O1	0.3275	0.6333	0.8274
O2	-0.3275	-0.6333	0.8274
Cl3	-0.3275	1.6304	-0.3894
Cl4	0.3275	-1.6304	-0.3894

	O1	O2	Cl3	Cl4
O1		1.4260	1.7040	2.5700
O2	1.4260		2.5700	1.7040
Cl3	1.7040	2.5700		3.3258
Cl4	2.5700	1.7040	3.3258

Bond Type	Count
O-O	1
O-Cl	2

	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	¹A	C₂	True							C₂	1	3

squib	reference	DOI
1989Bir/Fri:6588	M Birk, RR Friedl, EA Cohen, HM Pickett, SP Sander "The rotational spectrum and structure of chlorine peroxide" J. Chem. Phys. 91(11) 6588, 1989	10.1063/1.457377
1998Kuc	K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998	10.1007/978-3-642-45748-7
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for ClOOCl (Dichlorine dioxide)