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Geometry for CHCl2 (dichloromethyl radical) 2A' CS

1910171554
InChI=1S/CHCl2/c2-1-3/h1H INChIKey=ZJULYDCRWUEPTK-UHFFFAOYSA-N

B3LYPultrafine/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0128 0.7063 0.0000   0.0000 0.7028 0.0720
H2 -0.5133 1.6597 0.0000   0.0000 1.6968 -0.3725
Cl3 0.0128 -0.1735 1.4832   1.4832 -0.1739 -0.0017
Cl4 0.0128 -0.1735 -1.4832   -1.4832 -0.1739 -0.0017
Atom - Atom Distances (Å)
  C1 H2 Cl3 Cl4
C1 1.0889 1.7245 1.7245
H2 1.0889 2.4160 2.4160
Cl3 1.7245 2.4160 2.9664
Cl4 1.7245 2.4160 2.9664
Maximum atom distance is 2.9664Å between atoms Cl3 and Cl4.
picture of dichloromethyl radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl3 C1 Cl4 118.649
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl3 C1 H2 116.530 Cl4 C1 H2 116.530

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