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 C₂H₂ClF (1-chloro-1-fluoroethylene)

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

States and conformations

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

Point Group is C_s

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.452	0.000
C2	-1.006	1.320	0.000
F3	1.278	0.835	0.000
Cl4	-0.156	-1.264	0.000
H5	-0.794	2.379	0.000
H6	-2.024	0.962	0.000

Atom - Atom Distances (Å)

	C1	C2	F3	Cl4	H5	H6
C1		1.3285	1.3343	1.7235	2.0837	2.0874
C2	1.3285		2.3358	2.7200	1.0806	1.0787
F3	1.3343	2.3358		2.5420	2.5843	3.3050
Cl4	1.7235	2.7200	2.5420		3.6985	2.9063
H5	2.0837	1.0806	2.5843	3.6985		1.8767
H6	2.0874	1.0787	3.3050	2.9063	1.8767

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H5	119.391		C1	C2	H6	119.899
C2	C1	F3	122.605		C2	C1	Cl4	125.560
F3	C1	Cl4	111.835		H5	C2	H6	120.710