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)=FULL/cc-pVQZ

States and conformations

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

Point Group is C₁

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.537	0.545	-0.128
H2	0.716	1.497	0.346
F3	1.515	-0.338	0.026
Cl4	-1.034	-0.101	0.011

Atom - Atom Distances (Å)

	C1	H2	F3	Cl4
C1		1.0790	1.3270	1.7041
H2	1.0790		2.0270	2.3939
F3	1.3270	2.0270		2.5601
Cl4	1.7041	2.3939	2.5601

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.414		H2	C1	Cl4	116.883
F3	C1	Cl4	114.696