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	1749		webbook
2	A₁	1032
3	A₁	622
4	A₁	434
5	A₁	258
6	A₂	167
7	B₁	564						B1 and B2 switched
8	B₁	323						B1 and B2 switched
9	B₂	1327						B1 and B2 switched
10	B₂	989						B1 and B2 switched
11	B₂	459						B1 and B2 switched
12	B₂	192						B1 and B2 switched

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCF	1.315	0.015	1	3			1987Kuchitsu(II/15)
rCC	1.345	0.025	1	2			1987Kuchitsu(II/15)
rCCl	1.706	0.008	2	5			1987Kuchitsu(II/15)
aFCF	112.1	2.5	3	1	4		1987Kuchitsu(II/15)
aClCCl	119	0.9	5	2	6		1987Kuchitsu(II/15)
aCCCl	120.5	1	1	2	5			derived from source
aCCF	124	2.5	2	1	3			derived from source

Atom	y (Å)	z (Å)
C1	0.0000	1.0697
C2	0.0000	-0.2443
F3	1.1151	1.8218
F4	-1.1151	1.8218
Cl5	1.4699	-1.1102
Cl6	-1.4699	-1.1102

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3140	1.3450	1.3450	2.6292	2.6292
C2	1.3140		2.3478	2.3478	1.7060	1.7060
F3	1.3450	2.3478		2.2301	2.9534	3.9088
F4	1.3450	2.3478	2.2301		3.9088	2.9534
Cl5	2.6292	1.7060	2.9534	3.9088		2.9399
Cl6	2.6292	1.7060	3.9088	2.9534	2.9399

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.500	C1	C2	Cl6	120.500
C2	C1	F3	124.000	C2	C1	F4	124.000
F3	C1	F4	112.000	Cl5	C2	Cl6	119.000

	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	C_2v	True							C_2v	1	2

squib	reference	DOI
1987Kuchitsu(II/15)	Kuchitsu (ed.), Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 15: Structure Data of Free Polyatomic Molecules. Springer-Verlag, Berlin, 1987.
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

Bond Type	Count
C=C	1
C-F	2
C-Cl	2

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Experimental data for CF2CCl2 (difluorodichloroethylene)

Experimental data for CF₂CCl₂ (difluorodichloroethylene)