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: MP3=FULL/aug-cc-pVTZ

States and conformations

Geometric Data calculated at MP3=FULL/aug-cc-pVTZ

Point Group is C_s

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.451	0.000
C2	-0.999	1.304	0.000
F3	1.264	0.833	0.000
Cl4	-0.152	-1.255	0.000
H5	-0.794	2.358	0.000
H6	-2.008	0.946	0.000

Atom - Atom Distances (Å)

	C1	C2	F3	Cl4	H5	H6
C1		1.3141	1.3206	1.7123	2.0659	2.0680
C2	1.3141		2.3116	2.6960	1.0735	1.0704
F3	1.3206	2.3116		2.5227	2.5611	3.2737
Cl4	1.7123	2.6960	2.5227		3.6696	2.8793
H5	2.0659	1.0735	2.5611	3.6696		1.8620
H6	2.0680	1.0704	3.2737	2.8793	1.8620

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H5	119.485		C1	C2	H6	119.940
C2	C1	F3	122.649		C2	C1	Cl4	125.433
F3	C1	Cl4	111.918		H5	C2	H6	120.574