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Geometry for CHClCHCl (Ethene, 1,2-dichloro-, (Z)-) 1A1 C2V

1910171554
InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1- INChIKey=KFUSEUYYWQURPO-UPHRSURJSA-N

B3LYP/LANL2DZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6692 0.6689   0.6689 0.0000 0.6692
C2 0.0000 -0.6692 0.6689   0.6689 0.0000 -0.6692
H3 0.0000 1.2424 1.5889   1.5889 0.0000 1.2424
H4 0.0000 -1.2424 1.5889   1.5889 0.0000 -1.2424
Cl5 0.0000 1.7024 -0.8004   -0.8004 0.0000 1.7024
Cl6 0.0000 -1.7024 -0.8004   -0.8004 0.0000 -1.7024
Atom - Atom Distances (Å)
  C1 C2 H3 H4 Cl5 Cl6
C1 1.3384 1.0839 2.1214 1.7962 2.7899
C2 1.3384 2.1214 1.0839 2.7899 1.7962
H3 1.0839 2.1214 2.4848 2.4331 3.7921
H4 2.1214 1.0839 2.4848 3.7921 2.4331
Cl5 1.7962 2.7899 2.4331 3.7921 3.4048
Cl6 2.7899 1.7962 3.7921 2.4331 3.4048
Maximum atom distance is 3.7921Å between atoms H3 and Cl6.
picture of Ethene, 1,2-dichloro-, (Z)-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 Cl6 125.114 C2 C1 Cl5 125.114
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 121.925 C2 C1 H3 121.925
H3 C1 Cl5 112.961 H4 C2 Cl6 112.961

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