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Geometry for CHBr2 (dibromomethyl radical) 2A' CS

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

MP3/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0069 0.8473 0.0000   0.0633 0.8449 0.0069
H2 -0.5238 1.7845 0.0000   0.1332 1.7795 -0.5238
Br3 0.0069 -0.0981 1.6147   1.6029 -0.2184 0.0069
Br4 0.0069 -0.0981 -1.6147   -1.6175 0.0227 0.0069
Atom - Atom Distances (Å)
  C1 H2 Br3 Br4
C1 1.0770 1.8711 1.8711
H2 1.0770 2.5363 2.5363
Br3 1.8711 2.5363 3.2295
Br4 1.8711 2.5363 3.2295
Maximum atom distance is 3.2295Å 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 119.305
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 116.082 H2 C1 Br4 116.082

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