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: QCISD(T)/cc-pVTZ

States and conformations

Geometric Data calculated at QCISD(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	-2.003	0.814	0.000
Cl4	2.003	-0.814	0.000
F5	0.238	1.353	1.085
F6	0.238	1.353	-1.085
F7	-0.238	-1.353	1.085
F8	-0.238	-1.353	-1.085

Atom - Atom Distances (Å)

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5523	1.7663	2.7263	1.3342	1.3342	2.3560	2.3560
C2	1.5523		2.7263	1.7663	2.3560	2.3560	1.3342	1.3342
Cl3	1.7663	2.7263		4.3238	2.5471	2.5471	2.9977	2.9977
Cl4	2.7263	1.7663	4.3238		2.9977	2.9977	2.5471	2.5471
F5	1.3342	2.3560	2.5471	2.9977		2.1693	2.7470	3.5003
F6	1.3342	2.3560	2.5471	2.9977	2.1693		3.5003	2.7470
F7	2.3560	1.3342	2.9977	2.5471	2.7470	3.5003		2.1693
F8	2.3560	1.3342	2.9977	2.5471	3.5003	2.7470	2.1693

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	Cl4	110.310		C1	C2	F7	109.180
C1	C2	F8	109.180		C2	C1	Cl3	110.310
C2	C1	F5	109.180		C2	C1	F6	109.180
Cl3	C1	F5	109.686		Cl3	C1	F6	109.686
Cl4	C2	F7	109.686		Cl4	C2	F8	109.686
F5	C1	F6	108.771		F7	C2	F8	108.771