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 CF₃Cl (Methane, chlorotrifluoro-)

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

States and conformations

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

Point Group is C_3v

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.347
Cl2	0.000	0.000	1.406
F3	0.000	1.240	-0.808
F4	1.074	-0.620	-0.808
F5	-1.074	-0.620	-0.808

Atom - Atom Distances (Å)

	C1	Cl2	F3	F4	F5
C1		1.7530	1.3228	1.3228	1.3228
Cl2	1.7530		2.5377	2.5377	2.5377
F3	1.3228	2.5377		2.1474	2.1474
F4	1.3228	2.5377	2.1474		2.1474
F5	1.3228	2.5377	2.1474	2.1474

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	C1	F3	110.404		Cl2	C1	F4	110.404
Cl2	C1	F5	110.404		F3	C1	F4	108.522
F3	C1	F5	108.522		F4	C1	F5	108.522