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Geometry for CBr2Cl2 (dibromodichloromethane) 1A1 C2V

1910171554
InChI=1S/CBr2Cl2/c2-1(3,4)5 INChIKey=IHUREIPXVFKEDT-UHFFFAOYSA-N

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


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3897   0.0000 0.3897 0.0000
Cl2 0.0000 1.4566 1.4233   0.0000 1.4233 1.4566
Cl3 0.0000 -1.4566 1.4233   0.0000 1.4233 -1.4566
Br4 1.5764 0.0000 -0.7247   1.5764 -0.7247 0.0000
Br5 -1.5764 0.0000 -0.7247   -1.5764 -0.7247 0.0000
Atom - Atom Distances (Å)
  C1 Cl2 Cl3 Br4 Br5
C1 1.7861 1.7861 1.9306 1.9306
Cl2 1.7861 2.9132 3.0366 3.0366
Cl3 1.7861 2.9132 3.0366 3.0366
Br4 1.9306 3.0366 3.0366 3.1528
Br5 1.9306 3.0366 3.0366 3.1528
Maximum atom distance is 3.1528Å between atoms Br4 and Br5.
picture of dibromodichloromethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl2 C1 Cl3 109.279 Cl2 C1 Br4 109.516
Cl2 C1 Br5 109.516 Cl3 C1 Br4 109.516
Cl3 C1 Br5 109.516 Br4 C1 Br5 109.483

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