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Geometry for CBr2ClF (dibromochlorofluoromethane) 1A' CS

1910171554
InChI=1S/CBr2ClF/c2-1(3,4)5 INChIKey=HEDKQVNHJZBFQR-UHFFFAOYSA-N

M06-2X/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1313 0.5068 0.0000   0.0000 0.4061 -0.3304
F2 -1.2545 1.2379 0.0000   0.0000 0.6031 -1.6560
Cl3 1.2513 1.6064 0.0000   0.0000 1.9815 0.4688
Br4 -0.1313 -0.5927 1.5950   1.5950 -0.5936 0.1274
Br5 -0.1313 -0.5927 -1.5950   -1.5950 -0.5936 0.1274
Atom - Atom Distances (Å)
  C1 F2 Cl3 Br4 Br5
C1 1.3401 1.7665 1.9373 1.9373
F2 1.3401 2.5327 2.6752 2.6752
Cl3 1.7665 2.5327 3.0482 3.0482
Br4 1.9373 2.6752 3.0482 3.1900
Br5 1.9373 2.6752 3.0482 3.1900
Maximum atom distance is 3.1900Å between atoms Br4 and Br5.
picture of dibromochlorofluoromethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 C1 Cl3 108.446 F2 C1 Br4 108.036
F2 C1 Br5 108.036 Cl3 C1 Br4 110.689
Cl3 C1 Br5 110.689 Br4 C1 Br5 110.837

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.