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 CHF₂ (difluoromethyl radical)

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

States and conformations

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

Point Group is C_s

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.030	0.507	0.000
H2	-0.719	1.291	0.000
F3	0.030	-0.241	1.091
F4	0.030	-0.241	-1.091

Atom - Atom Distances (Å)

	C1	H2	F3	F4
C1		1.0840	1.3227	1.3227
H2	1.0840		2.0244	2.0244
F3	1.3227	2.0244		2.1813
F4	1.3227	2.0244	2.1813

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.155		H2	C1	F4	114.155
F3	C1	F4	111.091