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Geometry for CBr2ClF (dibromochlorofluoromethane) 1A' CS

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

B3LYPultrafine/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1349 0.5190 0.0000   0.0000 0.4151 -0.3395
F2 -1.2551 1.2501 0.0000   0.0000 0.6112 -1.6627
Cl3 1.2677 1.6263 0.0000   0.0000 2.0072 0.4720
Br4 -0.1349 -0.6002 1.6168   1.6168 -0.6016 0.1282
Br5 -0.1349 -0.6002 -1.6168   -1.6168 -0.6016 0.1282
Atom - Atom Distances (Å)
  C1 F2 Cl3 Br4 Br5
C1 1.3376 1.7871 1.9663 1.9663
F2 1.3376 2.5507 2.7004 2.7004
Cl3 1.7871 2.5507 3.0884 3.0884
Br4 1.9663 2.7004 3.0884 3.2335
Br5 1.9663 2.7004 3.0884 3.2335
Maximum atom distance is 3.2335Å 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 108.578 F2 C1 Br4 108.125
F2 C1 Br5 108.125 Cl3 C1 Br4 110.650
Cl3 C1 Br5 110.650 Br4 C1 Br5 110.618

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