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Geometry for CHBr2 (dibromomethyl radical) 2A' CS

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

BLYP/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0073 0.8276 0.0000   0.0588 0.8255 0.0073
H2 -0.5527 1.7862 0.0000   0.1268 1.7817 -0.5527
Br3 0.0073 -0.0965 1.6617   1.6507 -0.2142 0.0073
Br4 0.0073 -0.0965 -1.6617   -1.6644 0.0218 0.0073
Atom - Atom Distances (Å)
  C1 H2 Br3 Br4
C1 1.1102 1.9014 1.9014
H2 1.1102 2.5728 2.5728
Br3 1.9014 2.5728 3.3234
Br4 1.9014 2.5728 3.3234
Maximum atom distance is 3.3234Å 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 121.843
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 114.812 H2 C1 Br4 114.812

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