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: CCSD(T)/cc-pVTZ

States and conformations

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

Point Group is C_2h

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	-0.238	0.739	0.000
C2	0.238	-0.739	0.000
Cl3	-2.002	0.814	0.000
Cl4	2.002	-0.814	0.000
F5	0.238	1.352	1.084
F6	0.238	1.352	-1.084
F7	-0.238	-1.352	1.084
F8	-0.238	-1.352	-1.084

Atom - Atom Distances (Å)

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5521	1.7657	2.7255	1.3335	1.3335	2.3551	2.3551
C2	1.5521		2.7255	1.7657	2.3551	2.3551	1.3335	1.3335
Cl3	1.7657	2.7255		4.3224	2.5460	2.5460	2.9966	2.9966
Cl4	2.7255	1.7657	4.3224		2.9966	2.9966	2.5460	2.5460
F5	1.3335	2.3551	2.5460	2.9966		2.1683	2.7457	3.4986
F6	1.3335	2.3551	2.5460	2.9966	2.1683		3.4986	2.7457
F7	2.3551	1.3335	2.9966	2.5460	2.7457	3.4986		2.1683
F8	2.3551	1.3335	2.9966	2.5460	3.4986	2.7457	2.1683

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	Cl4	110.301		C1	C2	F7	109.175
C1	C2	F8	109.175		C2	C1	Cl3	110.301
C2	C1	F5	109.175		C2	C1	F6	109.175
Cl3	C1	F5	109.686		Cl3	C1	F6	109.686
Cl4	C2	F7	109.686		Cl4	C2	F8	109.686
F5	C1	F6	108.790		F7	C2	F8	108.790