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Geometry for CHBr2 (dibromomethyl radical) 2A' CS

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

B3PW91/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0063 0.8096 0.0000   0.0440 0.8084 0.0063
H2 -0.4805 1.7963 0.0000   0.0976 1.7936 -0.4805
Br3 0.0063 -0.0951 1.6424   1.6348 -0.1842 0.0063
Br4 0.0063 -0.0951 -1.6424   -1.6452 -0.0057 0.0063
Atom - Atom Distances (Å)
  C1 H2 Br3 Br4
C1 1.1003 1.8751 1.8751
H2 1.1003 2.5518 2.5518
Br3 1.8751 2.5518 3.2849
Br4 1.8751 2.5518 3.2849
Maximum atom distance is 3.2849Å 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 122.307
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 115.637 H2 C1 Br4 115.637

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