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Geometry for CBr2ClF (dibromochlorofluoromethane) 1A' CS

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

QCISD/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1277 0.5208 0.0000   -0.4371 0.2832 -0.1277
F2 -1.2699 1.2427 0.0000   -1.0429 0.6758 -1.2699
Cl3 1.2434 1.6222 0.0000   -1.3614 0.8822 1.2434
Br4 -0.1277 -0.5984 1.5996   -0.3677 -1.6678 -0.1277
Br5 -0.1277 -0.5984 -1.5996   1.3720 1.0170 -0.1277
Atom - Atom Distances (Å)
  C1 F2 Cl3 Br4 Br5
C1 1.3512 1.7587 1.9523 1.9523
F2 1.3512 2.5418 2.6931 2.6931
Cl3 1.7587 2.5418 3.0610 3.0610
Br4 1.9523 2.6931 3.0610 3.1992
Br5 1.9523 2.6931 3.0610 3.1992
Maximum atom distance is 3.1992Å 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 108.935 F2 C1 Br4 107.834
F2 C1 Br5 107.834 Cl3 C1 Br4 111.040
Cl3 C1 Br5 111.040 Br4 C1 Br5 110.040

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