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Geometry for CBr3Cl (tribromochloromethane) 1A1 C3V

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

LSDA/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 0.2915   0.0000 0.0000 0.2915
Cl2 0.0000 0.0000 2.1195   0.0000 0.0000 2.1195
Br3 0.0000 1.8439 -0.3598   1.8439 -0.0000 -0.3598
Br4 1.5968 -0.9219 -0.3598   -0.9219 1.5968 -0.3598
Br5 -1.5968 -0.9219 -0.3598   -0.9219 -1.5968 -0.3598
Atom - Atom Distances (Å)
  C1 Cl2 Br3 Br4 Br5
C1 1.8281 1.9555 1.9555 1.9555
Cl2 1.8281 3.0898 3.0898 3.0898
Br3 1.9555 3.0898 3.1937 3.1937
Br4 1.9555 3.0898 3.1937 3.1937
Br5 1.9555 3.0898 3.1937 3.1937
Maximum atom distance is 3.1937Å between atoms Br3 and Br4.
picture of tribromochloromethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl2 C1 Br3 109.454 Cl2 C1 Br4 109.454
Cl2 C1 Br5 109.454 Br3 C1 Br4 109.488
Br3 C1 Br5 109.488 Br4 C1 Br5 109.488

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