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Geometry for CBr3 (tribromomethyl radical) 2A1 C3V

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

MP2=FULL/aug-cc-pVDZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3525   0.0000 0.0000 0.3525
Br2 0.0000 1.8444 -0.0201   0.0000 1.8444 -0.0201
Br3 1.5973 -0.9222 -0.0201   1.5973 -0.9222 -0.0201
Br4 -1.5973 -0.9222 -0.0201   -1.5973 -0.9222 -0.0201
Atom - Atom Distances (Å)
  C1 Br2 Br3 Br4
C1 1.8817 1.8817 1.8817
Br2 1.8817 3.1946 3.1946
Br3 1.8817 3.1946 3.1946
Br4 1.8817 3.1946 3.1946
Maximum atom distance is 3.1946Å 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 116.179 Br2 C1 Br4 116.179
Br3 C1 Br4 116.179

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