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Geometry for CHCl2 (dichloromethyl radical) 2A' CS

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

B3LYP/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0114 0.6937 0.0000   0.0585 0.6912 0.0114
H2 -0.4574 1.6638 0.0000   0.1404 1.6578 -0.4574
Cl3 0.0114 -0.1714 1.4766   1.4569 -0.2954 0.0114
Cl4 0.0114 -0.1714 -1.4766   -1.4858 -0.0461 0.0114
Atom - Atom Distances (Å)
  C1 H2 Cl3 Cl4
C1 1.0774 1.7114 1.7114
H2 1.0774 2.4016 2.4016
Cl3 1.7114 2.4016 2.9532
Cl4 1.7114 2.4016 2.9532
Maximum atom distance is 2.9532Å 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 119.272
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl3 C1 H2 117.073 Cl4 C1 H2 117.073

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