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=FULL/aug-cc-pVTZ

States and conformations

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

Point Group is C_s

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.450	0.000
C2	-0.995	1.311	0.000
F3	1.270	0.828	0.000
Cl4	-0.157	-1.255	0.000
H5	-0.783	2.364	0.000
H6	-2.007	0.958	0.000

Atom - Atom Distances (Å)

	C1	C2	F3	Cl4	H5	H6
C1		1.3153	1.3252	1.7126	2.0684	2.0699
C2	1.3153		2.3153	2.6993	1.0745	1.0717
F3	1.3252	2.3153		2.5257	2.5642	3.2791
Cl4	1.7126	2.6993	2.5257		3.6734	2.8844
H5	2.0684	1.0745	2.5642	3.6734		1.8637
H6	2.0699	1.0717	3.2791	2.8844	1.8637

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H5	119.540		C1	C2	H6	119.913
C2	C1	F3	122.531		C2	C1	Cl4	125.608
F3	C1	Cl4	111.862		H5	C2	H6	120.547