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Geometry for CBr3Cl (tribromochloromethane) 1A1 C3V

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

B3PW91/3-21G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.2993   0.0000 0.0000 0.2993
Cl2 0.0000 0.0000 2.0883   0.0000 0.0000 2.0883
Br3 0.0000 1.8252 -0.3552   0.0000 1.8252 -0.3552
Br4 1.5807 -0.9126 -0.3552   1.5807 -0.9126 -0.3552
Br5 -1.5807 -0.9126 -0.3552   -1.5807 -0.9126 -0.3552
Atom - Atom Distances (Å)
  C1 Cl2 Br3 Br4 Br5
C1 1.7890 1.9390 1.9390 1.9390
Cl2 1.7890 3.0499 3.0499 3.0499
Br3 1.9390 3.0499 3.1613 3.1613
Br4 1.9390 3.0499 3.1613 3.1613
Br5 1.9390 3.0499 3.1613 3.1613
Maximum atom distance is 3.1613Å 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 109.728 Cl2 C1 Br4 109.728
Cl2 C1 Br5 109.728 Br3 C1 Br4 109.213
Br3 C1 Br5 109.213 Br4 C1 Br5 109.213

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