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 CHFClCHClF (ethane, 1,2-dichloro-1,2-difluoro-)

using model chemistry: CCSD(T)/cc-pVTZ

States and conformations

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

Point Group is C_i

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.763
C2	0.000	0.000	0.763
H3	1.015	0.000	-1.155
H4	-1.015	0.000	1.155
F5	-0.671	-1.092	-1.206
F6	0.671	1.092	1.206
Cl7	-0.817	1.467	-1.346
Cl8	0.817	-1.467	1.346

Atom - Atom Distances (Å)

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5252	1.0879	2.1697	1.3558	2.3489	1.7781	2.6960
C2	1.5252		2.1697	1.0879	2.3489	1.3558	2.6960	1.7781
H3	1.0879	2.1697		3.0750	2.0085	2.6242	2.3546	2.9070
H4	2.1697	1.0879	3.0750		2.6242	2.0085	2.9070	2.3546
F5	1.3558	2.3489	2.0085	2.6242		3.5192	2.5670	2.9782
F6	2.3489	1.3558	2.6242	2.0085	3.5192		2.9782	2.5670
Cl7	1.7781	2.6960	2.3546	2.9070	2.5670	2.9782		4.3051
Cl8	2.6960	1.7781	2.9070	2.3546	2.9782	2.5670	4.3051

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	111.160		C1	C2	F6	109.101
C1	C2	Cl8	109.169		C2	C1	H3	111.160
C2	C1	F5	109.101		C2	C1	Cl7	109.169
H3	C1	F5	110.071		H3	C1	Cl7	108.053
H4	C2	F6	110.071		H4	C2	Cl8	108.053
F5	C1	Cl7	109.255		F6	C2	Cl8	109.255