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 CHFClCHFCl (1,2-dichloro-1,2-difluoroethane RR)

using model chemistry: MP4/aug-cc-pVDZ

States and conformations

Geometric Data calculated at MP4/aug-cc-pVDZ

Point Group is C₂

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	-0.228	0.732	0.396
C2	0.228	-0.732	0.396
H3	-1.324	0.825	0.350
H4	1.324	-0.825	0.350
F5	0.228	1.315	1.570
F6	-0.228	-1.315	1.570
Cl7	0.485	1.606	-0.992
Cl8	-0.485	-1.606	-0.992

Atom - Atom Distances (Å)

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5338	1.1012	2.1992	1.3879	2.3600	1.7879	2.7313
C2	1.5338		2.1992	1.1012	2.3600	1.3879	2.7313	1.7879
H3	1.1012	2.1992		3.1205	2.0339	2.6964	2.3839	2.9012
H4	2.1992	1.1012	3.1205		2.6964	2.0339	2.9012	2.3839
F5	1.3879	2.3600	2.0339	2.6964		2.6684	2.5912	3.9501
F6	2.3600	1.3879	2.6964	2.0339	2.6684		3.9501	2.5912
Cl7	1.7879	2.7313	2.3839	2.9012	2.5912	3.9501		3.3560
Cl8	2.7313	1.7879	2.9012	2.3839	3.9501	2.5912	3.3560

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	112.107		C1	C2	F6	107.647
C1	C2	Cl8	110.389		C2	C1	H3	112.107
C2	C1	F5	107.647		C2	C1	Cl7	110.389
H3	C1	F5	109.050		H3	C1	Cl7	108.876
H4	C2	F6	109.050		H4	C2	Cl8	108.876
F5	C1	Cl7	108.703		F6	C2	Cl8	108.703