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Geometry for CBr2ClF (dibromochlorofluoromethane) 1A' CS

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

B3LYP/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1332 0.5166 0.0000   0.0000 0.4148 -0.3356
F2 -1.2549 1.2434 0.0000   0.0000 0.6107 -1.6577
Cl3 1.2599 1.6292 0.0000   0.0000 2.0051 0.4703
Br4 -0.1332 -0.5998 1.6180   1.6180 -0.6010 0.1277
Br5 -0.1332 -0.5998 -1.6180   -1.6180 -0.6010 0.1277
Atom - Atom Distances (Å)
  C1 F2 Cl3 Br4 Br5
C1 1.3365 1.7828 1.9658 1.9658
F2 1.3365 2.5442 2.6970 2.6970
Cl3 1.7828 2.5442 3.0866 3.0866
Br4 1.9658 2.6970 3.0866 3.2360
Br5 1.9658 2.6970 3.0866 3.2360
Maximum atom distance is 3.2360Å 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 108.445 F2 C1 Br4 107.989
F2 C1 Br5 107.989 Cl3 C1 Br4 110.758
Cl3 C1 Br5 110.758 Br4 C1 Br5 110.787

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