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 C₂ClF₃ (Ethene, chlorotrifluoro-)

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_s

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	-0.679	-0.665	0.000
C2	0.000	0.472	0.000
F3	-1.988	-0.726	0.000
F4	-0.119	-1.850	0.000
F5	-0.647	1.632	0.000
Cl6	1.697	0.568	0.000

Atom - Atom Distances (Å)

	C1	C2	F3	F4	F5	Cl6
C1		1.3244	1.3108	1.3099	2.2980	2.6769
C2	1.3244		2.3213	2.3244	1.3284	1.6998
F3	1.3108	2.3213		2.1810	2.7135	3.9059
F4	1.3099	2.3244	2.1810		3.5217	3.0233
F5	2.2980	1.3284	2.7135	3.5217		2.5741
Cl6	2.6769	1.6998	3.9059	3.0233	2.5741

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	F5	120.049		C1	C2	Cl6	124.064
C2	C1	F3	123.490		C2	C1	F4	123.855
F3	C1	F4	112.654		F5	C2	Cl6	115.886