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 CF₂Cl₂ (difluorodichloromethane)

using model chemistry: CCSD(T)=FULL/aug-cc-pVQZ

States and conformations

Geometric Data calculated at CCSD(T)=FULL/aug-cc-pVQZ

Point Group is C_2v

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.335
F2	0.000	1.073	1.117
F3	0.000	-1.073	1.117
Cl4	1.452	0.000	-0.651
Cl5	-1.452	0.000	-0.651

Atom - Atom Distances (Å)

	C1	F2	F3	Cl4	Cl5
C1		1.3277	1.3277	1.7549	1.7549
F2	1.3277		2.1456	2.5266	2.5266
F3	1.3277	2.1456		2.5266	2.5266
Cl4	1.7549	2.5266	2.5266		2.9041
Cl5	1.7549	2.5266	2.5266	2.9041

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	F3	107.810		F2	C1	Cl4	109.319
F2	C1	Cl5	109.319		F3	C1	Cl4	109.319
F3	C1	Cl5	109.319		Cl4	C1	Cl5	111.672