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: QCISD(T)=FULL/daug-cc-pVDZ

States and conformations

Geometric Data calculated at QCISD(T)=FULL/daug-cc-pVDZ

Point Group is C_s

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.033	0.000
Br2	0.850	-0.721	0.000
Cl3	-1.787	0.938	0.000
H4	0.318	1.552	0.911
H5	0.318	1.552	-0.911

Atom - Atom Distances (Å)

	C1	Br2	Cl3	H4	H5
C1		1.9489	1.7899	1.0956	1.0956
Br2	1.9489		3.1159	2.5061	2.5061
Cl3	1.7899	3.1159		2.3748	2.3748
H4	1.0956	2.5061	2.3748		1.8210
H5	1.0956	2.5061	2.3748	1.8210

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	Cl3	112.824		Br2	C1	H4	107.472
Br2	C1	H5	107.472		Cl3	C1	H4	108.362
Cl3	C1	H5	108.362		H4	C1	H5	112.420