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Geometry for CHCl2 (dichloromethyl radical) 2A' CS

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

HSEh1PBE/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0108 0.6872 0.0000   0.0568 0.6849 0.0108
H2 -0.4337 1.6698 0.0000   0.1379 1.6641 -0.4337
Cl3 0.0108 -0.1704 1.4645   1.4454 -0.2908 0.0108
Cl4 0.0108 -0.1704 -1.4645   -1.4736 -0.0488 0.0108
Atom - Atom Distances (Å)
  C1 H2 Cl3 Cl4
C1 1.0785 1.6971 1.6971
H2 1.0785 2.3935 2.3935
Cl3 1.6971 2.3935 2.9290
Cl4 1.6971 2.3935 2.9290
Maximum atom distance is 2.9290Å 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 119.296
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl3 C1 H2 117.412 Cl4 C1 H2 117.412

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