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 CHBrF₂ (Methane, bromodifluoro-)

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

States and conformations

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

Point Group is C_s

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	-0.425	-0.897	0.000
H2	-1.506	-0.973	0.000
Br3	0.076	0.953	0.000
F4	0.076	-1.501	1.083
F5	0.076	-1.501	-1.083

Atom - Atom Distances (Å)

	C1	H2	Br3	F4	F5
C1		1.0836	1.9165	1.3378	1.3378
H2	1.0836		2.4924	1.9887	1.9887
Br3	1.9165	2.4924		2.6825	2.6825
F4	1.3378	1.9887	2.6825		2.1666
F5	1.3378	1.9887	2.6825	2.1666

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	109.188		H2	C1	F4	109.992
H2	C1	F5	109.992		Br3	C1	F4	109.753
Br3	C1	F5	109.753		F4	C1	F5	108.150