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: MP4=FULL/aug-cc-pVDZ

States and conformations

Geometric Data calculated at MP4=FULL/aug-cc-pVDZ

Point Group is C_s

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.525	0.128	0.000
Br2	-1.412	0.325	0.000
F3	1.076	1.382	0.000
Cl4	1.076	-0.722	1.466
Cl5	1.076	-0.722	-1.466

Atom - Atom Distances (Å)

	C1	Br2	F3	Cl4	Cl5
C1		1.9472	1.3696	1.7815	1.7815
Br2	1.9472		2.7032	3.0715	3.0715
F3	1.3696	2.7032		2.5642	2.5642
Cl4	1.7815	3.0715	2.5642		2.9310
Cl5	1.7815	3.0715	2.5642	2.9310

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	F3	107.904		Br2	C1	Cl4	110.843
Br2	C1	Cl5	110.843		F3	C1	Cl4	108.216
F3	C1	Cl5	108.216		Cl4	C1	Cl5	110.701