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Geometry for CHCl2 (dichloromethyl radical) 2B1 C2V

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

B97D3/6-311+G(3df,2p)


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.6663   0.6663 0.0000 0.0000
H2 0.0000 0.0000 1.7460   1.7460 0.0000 0.0000
Cl3 0.0000 1.4757 -0.1689   -0.1689 0.0000 1.4757
Cl4 0.0000 -1.4757 -0.1689   -0.1689 0.0000 -1.4757
Atom - Atom Distances (Å)
  C1 H2 Cl3 Cl4
C1 1.0797 1.6957 1.6957
H2 1.0797 2.4176 2.4176
Cl3 1.6957 2.4176 2.9513
Cl4 1.6957 2.4176 2.9513
Maximum atom distance is 2.9513Å 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 120.977
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl3 C1 H2 119.511 Cl4 C1 H2 119.511

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