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Geometry for CH2Cl (chloromethyl radical) 2B1 C2V

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

PBE1PBE/6-31G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -1.1147   -1.1147 0.0000 0.0000
Cl2 0.0000 0.0000 0.5841   0.5841 0.0000 0.0000
H3 0.0000 0.9546 -1.6210   -1.6210 0.9546 0.0000
H4 0.0000 -0.9546 -1.6210   -1.6210 -0.9546 0.0000
Atom - Atom Distances (Å)
  C1 Cl2 H3 H4
C1 1.6988 1.0806 1.0806
Cl2 1.6988 2.4029 2.4029
H3 1.0806 2.4029 1.9093
H4 1.0806 2.4029 1.9093
Maximum atom distance is 2.4029Å 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 117.943 Br2 C1 H4 117.943
H3 C1 H4 124.114

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