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Geometry for CBr3Cl (tribromochloromethane) 1A1 C3V

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

B2PLYP=FULL/STO-3G


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.2456   0.0000 0.0000 0.2456
Cl2 0.0000 0.0000 2.1335   0.0000 0.0000 2.1335
Br3 0.0000 1.8681 -0.3595   1.8681 0.0000 -0.3595
Br4 1.6178 -0.9340 -0.3595   -0.9340 1.6178 -0.3595
Br5 -1.6178 -0.9340 -0.3595   -0.9340 -1.6178 -0.3595
Atom - Atom Distances (Å)
  C1 Cl2 Br3 Br4 Br5
C1 1.8880 1.9636 1.9636 1.9636
Cl2 1.8880 3.1152 3.1152 3.1152
Br3 1.9636 3.1152 3.2356 3.2356
Br4 1.9636 3.1152 3.2356 3.2356
Br5 1.9636 3.1152 3.2356 3.2356
Maximum atom distance is 3.2356Å 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 107.945 Cl2 C1 Br4 107.945
Cl2 C1 Br5 107.945 Br3 C1 Br4 110.953
Br3 C1 Br5 110.953 Br4 C1 Br5 110.953

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