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Geometry for CBr2ClF (dibromochlorofluoromethane) 1A' CS

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

BLYP/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1384 0.5126 0.0000   0.0000 0.4044 -0.3440
F2 -1.2598 1.2520 0.0000   0.0000 0.5942 -1.6738
Cl3 1.2855 1.6294 0.0000   0.0000 2.0223 0.4667
Br4 -0.1384 -0.6006 1.6094   1.6094 -0.6022 0.1313
Br5 -0.1384 -0.6006 -1.6094   -1.6094 -0.6022 0.1313
Atom - Atom Distances (Å)
  C1 F2 Cl3 Br4 Br5
C1 1.3433 1.8096 1.9569 1.9569
F2 1.3433 2.5732 2.6981 2.6981
Cl3 1.8096 2.5732 3.0969 3.0969
Br4 1.9569 2.6981 3.0969 3.2188
Br5 1.9569 2.6981 3.0969 3.2188
Maximum atom distance is 3.2188Å 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 108.495 F2 C1 Br4 108.247
F2 C1 Br5 108.247 Cl3 C1 Br4 110.553
Cl3 C1 Br5 110.553 Br4 C1 Br5 110.657

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