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Geometry for CHBr2 (dibromomethyl radical) 2A' CS

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

HF/Def2TZVPP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0063 0.8336 0.0000   0.0585 0.8316 0.0063
H2 -0.4798 1.7857 0.0000   0.1254 1.7813 -0.4798
Br3 0.0063 -0.0970 1.6156   1.6048 -0.2102 0.0063
Br4 0.0063 -0.0970 -1.6156   -1.6184 0.0167 0.0063
Atom - Atom Distances (Å)
  C1 H2 Br3 Br4
C1 1.0690 1.8644 1.8644
H2 1.0690 2.5280 2.5280
Br3 1.8644 2.5280 3.2311
Br4 1.8644 2.5280 3.2311
Maximum atom distance is 3.2311Å 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 120.114
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 Br3 116.394 H2 C1 Br4 116.394

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