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 CBrClF₂ (Methane, bromochlorodifluoro-)

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

States and conformations

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

Point Group is C_s

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.037	0.673	0.000
Br2	0.546	-1.189	0.000
Cl3	-1.714	0.870	0.000
F4	0.546	1.265	1.074
F5	0.546	1.265	-1.074

Atom - Atom Distances (Å)

	C1	Br2	Cl3	F4	F5
C1		1.9301	1.7617	1.3280	1.3280
Br2	1.9301		3.0566	2.6786	2.6786
Cl3	1.7617	3.0566		2.5329	2.5329
F4	1.3280	2.6786	2.5329		2.1489
F5	1.3280	2.6786	2.5329	2.1489

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	Cl3	111.700		Br2	C1	F4	109.203
Br2	C1	F5	109.203		Cl3	C1	F4	109.328
Cl3	C1	F5	109.328		F4	C1	F5	108.005