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 CBrCl₂F (bromodichlorofluoromethane)

using model chemistry: QCISD(T)/aug-cc-pVTZ

States and conformations

Geometric Data calculated at QCISD(T)/aug-cc-pVTZ

Point Group is C_s

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.524	0.132	0.000
Br2	-1.400	0.323	0.000
F3	1.067	1.363	0.000
Cl4	1.067	-0.717	1.453
Cl5	1.067	-0.717	-1.453

Atom - Atom Distances (Å)

	C1	Br2	F3	Cl4	Cl5
C1		1.9339	1.3449	1.7685	1.7685
Br2	1.9339		2.6772	3.0465	3.0465
F3	1.3449	2.6772		2.5373	2.5373
Cl4	1.7685	3.0465	2.5373		2.9059
Cl5	1.7685	3.0465	2.5373	2.9059

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	F3	108.130		Br2	C1	Cl4	110.663
Br2	C1	Cl5	110.663		F3	C1	Cl4	108.402
F3	C1	Cl5	108.402		Cl4	C1	Cl5	110.491