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Geometry for CHCl2 (dichloromethyl radical) 2A' CS

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

B3LYPultrafine/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0121 0.6962 0.0000   0.0579 0.6937 0.0121
H2 -0.4844 1.6583 0.0000   0.1379 1.6526 -0.4844
Cl3 0.0121 -0.1716 1.4849   1.4655 -0.2945 0.0121
Cl4 0.0121 -0.1716 -1.4849   -1.4941 -0.0475 0.0121
Atom - Atom Distances (Å)
  C1 H2 Cl3 Cl4
C1 1.0828 1.7199 1.7199
H2 1.0828 2.4084 2.4084
Cl3 1.7199 2.4084 2.9699
Cl4 1.7199 2.4084 2.9699
Maximum atom distance is 2.9699Å 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 119.397
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl3 C1 H2 116.639 Cl4 C1 H2 116.639

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