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 CH₂BrCl (Methane, bromochloro-)

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

States and conformations

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

Point Group is C_s

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.017	0.000
Br2	0.839	-0.711	0.000
Cl3	-1.764	0.925	0.000
H4	0.317	1.531	0.895
H5	0.317	1.531	-0.895

Atom - Atom Distances (Å)

	C1	Br2	Cl3	H4	H5
C1		1.9213	1.7665	1.0792	1.0792
Br2	1.9213		3.0742	2.4695	2.4695
Cl3	1.7665	3.0742		2.3453	2.3453
H4	1.0792	2.4695	2.3453		1.7893
H5	1.0792	2.4695	2.3453	1.7893

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	Cl3	112.876		Br2	C1	H4	107.432
Br2	C1	H5	107.432		Cl3	C1	H4	108.585
Cl3	C1	H5	108.585		H4	C1	H5	111.985