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Geometry for CBr3 (tribromomethyl radical) 2A1 C3V

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

PBEPBE/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 0.3293   0.0000 0.0000 0.3293
Br2 0.0000 1.9088 -0.0188   1.9088 0.0000 -0.0188
Br3 1.6531 -0.9544 -0.0188   -0.9544 1.6531 -0.0188
Br4 -1.6531 -0.9544 -0.0188   -0.9544 -1.6531 -0.0188
Atom - Atom Distances (Å)
  C1 Br2 Br3 Br4
C1 1.9403 1.9403 1.9403
Br2 1.9403 3.3062 3.3062
Br3 1.9403 3.3062 3.3062
Br4 1.9403 3.3062 3.3062
Maximum atom distance is 3.3062Å 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 116.854 Br2 C1 Br4 116.854
Br3 C1 Br4 116.854

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