Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CFClCFCl (cis-1,2-dichloro-1,2-difluoroethylene)

using model chemistry: CCSD(T)=FULL/aug-cc-pVTZ

States and conformations

Geometric Data calculated at CCSD(T)=FULL/aug-cc-pVTZ

Point Group is C_2v

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.665	0.414
C2	0.000	-0.665	0.414
F3	0.000	1.326	1.564
F4	0.000	-1.326	1.564
Cl5	0.000	1.644	-0.974
Cl6	0.000	-1.644	-0.974

Atom - Atom Distances (Å)

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3299	1.3266	2.2991	1.6983	2.6941
C2	1.3299		2.2991	1.3266	2.6941	1.6983
F3	1.3266	2.2991		2.6514	2.5578	3.9067
F4	2.2991	1.3266	2.6514		3.9067	2.5578
Cl5	1.6983	2.6941	2.5578	3.9067		3.2888
Cl6	2.6941	1.6983	3.9067	2.5578	3.2888

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	F4	119.873		C1	C2	Cl6	125.220
C2	C1	F3	119.873		C2	C1	Cl5	125.220
F3	C1	Cl5	114.908		F4	C2	Cl6	114.908