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Geometry for CH2Cl (chloromethyl radical) 2A' CS

1910171554
InChI=1S/CH2Cl/c1-2/h1H2 INChIKey=WBLIXGSTEMXDSM-UHFFFAOYSA-N

CCSD/daug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0045 1.1176 0.0000   0.0001 -0.0045 1.1176
Cl2 -0.0045 -0.5848 0.0000   0.0001 -0.0045 -0.5848
H3 0.0514 1.6175 0.9504   0.9498 0.0625 1.6175
H4 0.0514 1.6175 -0.9504   -0.9510 0.0403 1.6175
Atom - Atom Distances (Å)
  C1 Cl2 H3 H4
C1 1.7024 1.0753 1.0753
Cl2 1.7024 2.3993 2.3993
H3 1.0753 2.3993 1.9009
H4 1.0753 2.3993 1.9009
Maximum atom distance is 2.3993Å between atoms Cl2 and H3.
picture of chloromethyl radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 C1 H3 117.702 Br2 C1 H4 117.702
H3 C1 H4 124.220

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