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Geometry for CHBr2 (dibromomethyl radical) 2A' CS

1910171554
InChI=1S/CHBr2/c2-1-3/h1H INChIKey=HFPGRVHMFSJMOL-UHFFFAOYSA-N

MP3/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0070 0.8575 0.0000   0.0633 0.8552 0.0070
H2 -0.5339 1.7946 0.0000   0.1326 1.7897 -0.5339
Br3 0.0070 -0.0991 1.6146   1.6029 -0.2181 0.0070
Br4 0.0070 -0.0991 -1.6146   -1.6175 0.0204 0.0070
Atom - Atom Distances (Å)
  C1 H2 Br3 Br4
C1 1.0820 1.8768 1.8768
H2 1.0820 2.5468 2.5468
Br3 1.8768 2.5468 3.2293
Br4 1.8768 2.5468 3.2293
Maximum atom distance is 3.2293Å between atoms Br3 and Br4.
picture of dibromomethyl radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br3 C1 Br4 118.707
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 116.198 H2 C1 Br4 116.198

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