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Geometry for CBr3 (tribromomethyl radical) 2A1 C3V

1910171554
InChI=1S/CBr3/c2-1(3)4 INChIKey=ROWMQJJMCWDJDT-UHFFFAOYSA-N

B3LYPultrafine/Def2TZVPP


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.2898   0.0000 0.0000 0.2898
Br2 0.0000 1.8588 -0.0166   0.0000 1.8588 -0.0166
Br3 1.6098 -0.9294 -0.0166   1.6098 -0.9294 -0.0166
Br4 -1.6098 -0.9294 -0.0166   -1.6098 -0.9294 -0.0166
Atom - Atom Distances (Å)
  C1 Br2 Br3 Br4
C1 1.8839 1.8839 1.8839
Br2 1.8839 3.2196 3.2196
Br3 1.8839 3.2196 3.2196
Br4 1.8839 3.2196 3.2196
Maximum atom distance is 3.2196Å between atoms Br3 and Br4.
picture of tribromomethyl radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 C1 Br3 117.408 Br2 C1 Br4 117.408
Br3 C1 Br4 117.408

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