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Geometry for CHBr2 (dibromomethyl radical) 2A' CS

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

TPSSh/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0072 0.8422 0.0000   0.0626 0.8399 0.0072
H2 -0.5441 1.7859 0.0000   0.1327 1.7810 -0.5441
Br3 0.0072 -0.0977 1.6217   1.6099 -0.2179 0.0072
Br4 0.0072 -0.0977 -1.6217   -1.6245 0.0231 0.0072
Atom - Atom Distances (Å)
  C1 H2 Br3 Br4
C1 1.0929 1.8744 1.8744
H2 1.0929 2.5459 2.5459
Br3 1.8744 2.5459 3.2434
Br4 1.8744 2.5459 3.2434
Maximum atom distance is 3.2434Å 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 119.806
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 115.658 H2 C1 Br4 115.658

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