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Geometry for CHBr2 (dibromomethyl radical) 2A' CS

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

CCSD(T)=FULL/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0050 0.8186 0.0000   0.0599 0.8164 0.0050
H2 -0.3769 1.8196 0.0000   0.1332 1.8147 -0.3769
Br3 0.0050 -0.0962 1.6074   1.5961 -0.2136 0.0050
Br4 0.0050 -0.0962 -1.6074   -1.6102 0.0218 0.0050
Atom - Atom Distances (Å)
  C1 H2 Br3 Br4
C1 1.0713 1.8495 1.8495
H2 1.0713 2.5297 2.5297
Br3 1.8495 2.5297 3.2149
Br4 1.8495 2.5297 3.2149
Maximum atom distance is 3.2149Å 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 120.713
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 117.524 H2 C1 Br4 117.524

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