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 CHFCl (Chlorofluoromethyl radical)

using model chemistry: CCSD(T)/6-31G(2df,p)

States and conformations

Geometric Data calculated at CCSD(T)/6-31G(2df,p)

Point Group is C₁

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.549	0.547	-0.133
H2	0.721	1.499	0.361
F3	1.518	-0.341	0.028
Cl4	-1.040	-0.101	0.011

Atom - Atom Distances (Å)

	C1	H2	F3	Cl4
C1		1.0858	1.3243	1.7216
H2	1.0858		2.0324	2.4043
F3	1.3243	2.0324		2.5687
Cl4	1.7216	2.4043	2.5687

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.618		H2	C1	Cl4	115.985
F3	C1	Cl4	114.356