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Geometry for CHBr2 (dibromomethyl radical) 2A' CS

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

PBEPBEultrafine/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0072 0.8401 0.0000   0.0617 0.8378 0.0072
H2 -0.5446 1.7923 0.0000   0.1317 1.7874 -0.5446
Br3 0.0072 -0.0976 1.6265   1.6149 -0.2169 0.0072
Br4 0.0072 -0.0976 -1.6265   -1.6292 0.0222 0.0072
Atom - Atom Distances (Å)
  C1 H2 Br3 Br4
C1 1.1005 1.8774 1.8774
H2 1.1005 2.5537 2.5537
Br3 1.8774 2.5537 3.2529
Br4 1.8774 2.5537 3.2529
Maximum atom distance is 3.2529Å 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 120.071
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 115.604 H2 C1 Br4 115.604

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