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 CHBrF₂ (Methane, bromodifluoro-)

using model chemistry: QCISD(T)=FULL/Def2TZVPP

States and conformations

Geometric Data calculated at QCISD(T)=FULL/Def2TZVPP

Point Group is C_s

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	-0.424	-0.906	0.000
H2	-1.505	-0.976	0.000
Br3	0.076	0.960	0.000
F4	0.076	-1.510	1.085
F5	0.076	-1.510	-1.085

Atom - Atom Distances (Å)

	C1	H2	Br3	F4	F5
C1		1.0831	1.9317	1.3386	1.3386
H2	1.0831		2.4998	1.9904	1.9904
Br3	1.9317	2.4998		2.6973	2.6973
F4	1.3386	1.9904	2.6973		2.1697
F5	1.3386	1.9904	2.6973	2.1697

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	108.742		H2	C1	F4	110.102
H2	C1	F5	110.102		Br3	C1	F4	109.805
Br3	C1	F5	109.805		F4	C1	F5	108.278