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Geometry for CBr3 (tribromomethyl radical) 2A1 C3V

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

PBEPBE/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 0.3539   0.0000 0.0000 0.3539
Br2 0.0000 1.8615 -0.0202   1.8615 0.0000 -0.0202
Br3 1.6121 -0.9307 -0.0202   -0.9307 1.6121 -0.0202
Br4 -1.6121 -0.9307 -0.0202   -0.9307 -1.6121 -0.0202
Atom - Atom Distances (Å)
  C1 Br2 Br3 Br4
C1 1.8987 1.8987 1.8987
Br2 1.8987 3.2242 3.2242
Br3 1.8987 3.2242 3.2242
Br4 1.8987 3.2242 3.2242
Maximum atom distance is 3.2242Å between atoms Br2 and Br3.
picture of tribromomethyl radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 C1 Br3 116.217 Br2 C1 Br4 116.217
Br3 C1 Br4 116.217

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