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Geometry for CHCl2 (dichloromethyl radical) 2A' CS

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

mPW1PW91/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0124 0.7005 0.0000   0.0541 0.6984 0.0124
H2 -0.4972 1.6612 0.0000   0.1283 1.6562 -0.4972
Cl3 0.0124 -0.1725 1.4704   1.4527 -0.2855 0.0124
Cl4 0.0124 -0.1725 -1.4704   -1.4793 -0.0584 0.0124
Atom - Atom Distances (Å)
  C1 H2 Cl3 Cl4
C1 1.0875 1.7100 1.7100
H2 1.0875 2.4050 2.4050
Cl3 1.7100 2.4050 2.9408
Cl4 1.7100 2.4050 2.9408
Maximum atom distance is 2.9408Å 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 118.607
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl3 C1 H2 116.805 Cl4 C1 H2 116.805

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