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Geometry for CHBr2 (dibromomethyl radical) 2A' CS

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

PBEPBEultrafine/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0070 0.8425 0.0000   0.0599 0.8404 0.0070
H2 -0.5335 1.7979 0.0000   0.1277 1.7933 -0.5335
Br3 0.0070 -0.0979 1.6231   1.6121 -0.2130 0.0070
Br4 0.0070 -0.0979 -1.6231   -1.6260 0.0177 0.0070
Atom - Atom Distances (Å)
  C1 H2 Br3 Br4
C1 1.0977 1.8759 1.8759
H2 1.0977 2.5536 2.5536
Br3 1.8759 2.5536 3.2463
Br4 1.8759 2.5536 3.2463
Maximum atom distance is 3.2463Å 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 119.827
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 115.870 H2 C1 Br4 115.870

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