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: MP4/aug-cc-pVTZ

States and conformations

Geometric Data calculated at MP4/aug-cc-pVTZ

Point Group is C_i

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.762
C2	0.000	0.000	0.762
H3	1.014	0.000	-1.163
H4	-1.014	0.000	1.163
F5	-0.671	-1.105	-1.203
F6	0.671	1.105	1.203
Cl7	-0.831	1.457	-1.348
Cl8	0.831	-1.457	1.348

Atom - Atom Distances (Å)

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5247	1.0899	2.1757	1.3663	2.3529	1.7771	2.6961
C2	1.5247		2.1757	1.0899	2.3529	1.3663	2.6961	1.7771
H3	1.0899	2.1757		3.0851	2.0157	2.6337	2.3585	2.9088
H4	2.1757	1.0899	3.0851		2.6337	2.0157	2.9088	2.3585
F5	1.3663	2.3529	2.0157	2.6337		3.5328	2.5718	2.9818
F6	2.3529	1.3663	2.6337	2.0157	3.5328		2.9818	2.5718
Cl7	1.7771	2.6961	2.3585	2.9088	2.5718	2.9818		4.3045
Cl8	2.6961	1.7771	2.9088	2.3585	2.9818	2.5718	4.3045

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	111.551		C1	C2	F6	108.823
C1	C2	Cl8	109.242		C2	C1	H3	111.551
C2	C1	F5	108.823		C2	C1	Cl7	109.242
H3	C1	F5	109.788		H3	C1	Cl7	108.305
H4	C2	F6	109.788		H4	C2	Cl8	108.305
F5	C1	Cl7	109.098		F6	C2	Cl8	109.098