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Geometry for CHBr2 (dibromomethyl radical) 2A' CS

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

HSEh1PBE/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0064 0.8341 0.0000   0.0530 0.8324 0.0064
H2 -0.4874 1.8049 0.0000   0.1148 1.8012 -0.4874
Br3 0.0064 -0.0973 1.6098   1.6004 -0.1994 0.0064
Br4 0.0064 -0.0973 -1.6098   -1.6128 0.0053 0.0064
Atom - Atom Distances (Å)
  C1 H2 Br3 Br4
C1 1.0892 1.8598 1.8598
H2 1.0892 2.5404 2.5404
Br3 1.8598 2.5404 3.2197
Br4 1.8598 2.5404 3.2197
Maximum atom distance is 3.2197Å 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 119.899
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 116.509 H2 C1 Br4 116.509

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