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Geometry for CBr2ClF (dibromochlorofluoromethane) 1A' CS

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

B97D3/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1444 0.5247 0.0000   0.0000 0.4116 -0.3559
F2 -1.2943 1.3059 0.0000   0.0000 0.6225 -1.7301
Cl3 1.3306 1.6599 0.0000   0.0000 2.0707 0.4875
Br4 -0.1444 -0.6160 1.6421   1.6421 -0.6182 0.1345
Br5 -0.1444 -0.6160 -1.6421   -1.6421 -0.6182 0.1345
Atom - Atom Distances (Å)
  C1 F2 Cl3 Br4 Br5
C1 1.3902 1.8612 1.9994 1.9994
F2 1.3902 2.6486 2.7772 2.7772
Cl3 1.8612 2.6486 3.1704 3.1704
Br4 1.9994 2.7772 3.1704 3.2843
Br5 1.9994 2.7772 3.1704 3.2843
Maximum atom distance is 3.2843Å 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 108.223 F2 C1 Br4 108.699
F2 C1 Br5 108.699 Cl3 C1 Br4 110.363
Cl3 C1 Br5 110.363 Br4 C1 Br5 110.432

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