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Geometry for CBr3Cl (tribromochloromethane) 1A1 C3V

1910171554
InChI=1S/CBr3Cl/c2-1(3,4)5 INChIKey=GKXZMEXQUWZGJK-UHFFFAOYSA-N

M06-2X/6-31G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3030   0.0000 0.0000 0.3030
Cl2 0.0000 0.0000 2.0681   0.0000 0.0000 2.0681
Br3 0.0000 1.8237 -0.3521   0.0000 1.8237 -0.3521
Br4 1.5794 -0.9119 -0.3521   1.5794 -0.9119 -0.3521
Br5 -1.5794 -0.9119 -0.3521   -1.5794 -0.9119 -0.3521
Atom - Atom Distances (Å)
  C1 Cl2 Br3 Br4 Br5
C1 1.7652 1.9378 1.9378 1.9378
Cl2 1.7652 3.0304 3.0304 3.0304
Br3 1.9378 3.0304 3.1587 3.1587
Br4 1.9378 3.0304 3.1587 3.1588
Br5 1.9378 3.0304 3.1587 3.1588
Maximum atom distance is 3.1588Å between atoms Br4 and Br5.
picture of tribromochloromethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl2 C1 Br3 109.759 Cl2 C1 Br4 109.759
Cl2 C1 Br5 109.759 Br3 C1 Br4 109.182
Br3 C1 Br5 109.182 Br4 C1 Br5 109.182

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