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Geometry for CBr3Cl (tribromochloromethane) 1A1 C3V

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

TPSSh/3-21G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.2987   0.0000 -0.0000 0.2987
Cl2 0.0000 0.0000 2.0991   0.0000 -0.0000 2.0991
Br3 0.0000 1.8316 -0.3569   1.8316 0.0000 -0.3569
Br4 1.5862 -0.9158 -0.3569   -0.9158 1.5862 -0.3569
Br5 -1.5862 -0.9158 -0.3569   -0.9158 -1.5862 -0.3569
Atom - Atom Distances (Å)
  C1 Cl2 Br3 Br4 Br5
C1 1.8004 1.9454 1.9454 1.9454
Cl2 1.8004 3.0638 3.0638 3.0638
Br3 1.9454 3.0638 3.1724 3.1724
Br4 1.9454 3.0638 3.1724 3.1724
Br5 1.9454 3.0638 3.1724 3.1724
Maximum atom distance is 3.1724Å 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 109.695 Cl2 C1 Br4 109.695
Cl2 C1 Br5 109.695 Br3 C1 Br4 109.247
Br3 C1 Br5 109.247 Br4 C1 Br5 109.247

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