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Geometry for CHCl2 (dichloromethyl radical) 2A' CS

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

MP2/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0133 0.7016 0.0000   0.0597 0.6991 0.0133
H2 -0.5321 1.6309 0.0000   0.1387 1.6250 -0.5321
Cl3 0.0133 -0.1718 1.4737   1.4537 -0.2965 0.0133
Cl4 0.0133 -0.1718 -1.4737   -1.4830 -0.0458 0.0133
Atom - Atom Distances (Å)
  C1 H2 Cl3 Cl4
C1 1.0775 1.7131 1.7131
H2 1.0775 2.3914 2.3914
Cl3 1.7131 2.3914 2.9474
Cl4 1.7131 2.3914 2.9474
Maximum atom distance is 2.9474Å 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 118.691
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl3 C1 H2 116.086 Cl4 C1 H2 116.086

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