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Geometry for CBr2ClF (dibromochlorofluoromethane) 1A' CS

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

PBEPBE/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1347 0.5229 0.0000   0.0000 0.4189 -0.3408
F2 -1.2587 1.2606 0.0000   0.0000 0.6196 -1.6702
Cl3 1.2685 1.6125 0.0000   0.0000 1.9949 0.4791
Br4 -0.1347 -0.5985 1.6114   1.6114 -0.6000 0.1276
Br5 -0.1347 -0.5985 -1.6114   -1.6114 -0.6000 0.1276
Atom - Atom Distances (Å)
  C1 F2 Cl3 Br4 Br5
C1 1.3445 1.7765 1.9632 1.9632
F2 1.3445 2.5516 2.7048 2.7048
Cl3 1.7765 2.5516 3.0747 3.0747
Br4 1.9632 2.7048 3.0747 3.2227
Br5 1.9632 2.7048 3.0747 3.2227
Maximum atom distance is 3.2227Å 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 108.898 F2 C1 Br4 108.264
F2 C1 Br5 108.264 Cl3 C1 Br4 110.508
Cl3 C1 Br5 110.508 Br4 C1 Br5 110.327

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