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Geometry for CBr3 (tribromomethyl radical) 2A1 C3V

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

mPW1PW91/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 0.3007   0.0000 0.0000 0.3007
Br2 0.0000 1.8495 -0.0172   0.0000 1.8495 -0.0172
Br3 1.6017 -0.9248 -0.0172   1.6017 -0.9248 -0.0172
Br4 -1.6017 -0.9248 -0.0172   -1.6017 -0.9248 -0.0172
Atom - Atom Distances (Å)
  C1 Br2 Br3 Br4
C1 1.8766 1.8766 1.8766
Br2 1.8766 3.2035 3.2035
Br3 1.8766 3.2035 3.2035
Br4 1.8766 3.2035 3.2035
Maximum atom distance is 3.2035Å 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 117.192 Br2 C1 Br4 117.192
Br3 C1 Br4 117.192

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