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Geometry for CHCl2 (dichloromethyl radical) 2A' CS

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

mPW1PW91/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0124 0.6972 0.0000   0.0000 0.6938 0.0698
H2 -0.4960 1.6613 0.0000   0.0000 1.6965 -0.3575
Cl3 0.0124 -0.1719 1.4730   1.4730 -0.1723 -0.0018
Cl4 0.0124 -0.1719 -1.4730   -1.4730 -0.1723 -0.0018
Atom - Atom Distances (Å)
  C1 H2 Cl3 Cl4
C1 1.0899 1.7103 1.7103
H2 1.0899 2.4060 2.4060
Cl3 1.7103 2.4060 2.9460
Cl4 1.7103 2.4060 2.9460
Maximum atom distance is 2.9460Å 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 118.915
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl3 C1 H2 116.713 Cl4 C1 H2 116.713

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