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 CF₂ClCF₂Cl (1,2-Dichloro-1,1,2,2-tetrafluoroethane)

using model chemistry: MP3/6-31+G**

States and conformations

Geometric Data calculated at MP3/6-31+G**

Point Group is C_2h

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	-0.238	0.735	0.000
C2	0.238	-0.735	0.000
Cl3	-2.000	0.798	0.000
Cl4	2.000	-0.798	0.000
F5	0.238	1.343	1.091
F6	0.238	1.343	-1.091
F7	-0.238	-1.343	1.091
F8	-0.238	-1.343	-1.091

Atom - Atom Distances (Å)

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5453	1.7626	2.7126	1.3373	1.3373	2.3475	2.3475
C2	1.5453		2.7126	1.7626	2.3475	2.3475	1.3373	1.3373
Cl3	1.7626	2.7126		4.3061	2.5491	2.5491	2.9796	2.9796
Cl4	2.7126	1.7626	4.3061		2.9796	2.9796	2.5491	2.5491
F5	1.3373	2.3475	2.5491	2.9796		2.1826	2.7288	3.4942
F6	1.3373	2.3475	2.5491	2.9796	2.1826		3.4942	2.7288
F7	2.3475	1.3373	2.9796	2.5491	2.7288	3.4942		2.1826
F8	2.3475	1.3373	2.9796	2.5491	3.4942	2.7288	2.1826

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	Cl4	110.005		C1	C2	F7	108.837
C1	C2	F8	108.837		C2	C1	Cl3	110.005
C2	C1	F5	108.837		C2	C1	F6	108.837
Cl3	C1	F5	109.877		Cl3	C1	F6	109.877
Cl4	C2	F7	109.877		Cl4	C2	F8	109.877
F5	C1	F6	109.383		F7	C2	F8	109.383