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 CHCl₂CHF₂ (1,1-dichloro-2,2-difluoroethane)

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

States and conformations

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

Point Group is C_s

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.409	-0.227	0.000
C2	-0.357	1.094	0.000
H3	1.484	-0.056	0.000
H4	-1.431	0.924	0.000
Cl5	-0.007	-1.138	1.466
Cl6	-0.007	-1.138	-1.466
F7	-0.007	1.812	1.090
F8	-0.007	1.812	-1.090

Atom - Atom Distances (Å)

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5268	1.0879	2.1705	1.7761	1.7761	2.3489	2.3489
C2	1.5268		2.1705	1.0879	2.6935	2.6935	1.3513	1.3513
H3	1.0879	2.1705		3.0755	2.3546	2.3546	2.6270	2.6270
H4	2.1705	1.0879	3.0755		2.9033	2.9033	2.0014	2.0014
Cl5	1.7761	2.6935	2.3546	2.9033		2.9330	2.9738	3.9036
Cl6	1.7761	2.6935	2.3546	2.9033	2.9330		3.9036	2.9738
F7	2.3489	1.3513	2.6270	2.0014	2.9738	3.9036		2.1804
F8	2.3489	1.3513	2.6270	2.0014	3.9036	2.9738	2.1804

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	111.110		C1	C2	F7	109.244
C1	C2	F8	109.244		C2	C1	H3	111.110
C2	C1	Cl5	109.036		C2	C1	Cl6	109.036
H3	C1	Cl5	108.178		H3	C1	Cl6	108.178
H4	C2	F7	109.802		H4	C2	F8	109.802
Cl5	C1	Cl6	111.310		F7	C2	F8	107.565