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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

B97D3/6-311+G(3df,2p)


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6670 0.9545   0.6670 0.9545 0.0000
C2 0.0000 -0.6670 0.9545   -0.6670 0.9545 0.0000
H3 0.0000 1.2145 1.8901   1.2145 1.8901 0.0000
H4 0.0000 -1.2145 1.8901   -1.2145 1.8901 0.0000
Cl5 0.0000 1.6596 -0.4481   1.6596 -0.4481 0.0000
Cl6 0.0000 -1.6596 -0.4481   -1.6596 -0.4481 0.0000
Atom - Atom Distances (Å)
  C1 C2 H3 H4 Cl5 Cl6
C1 1.3340 1.0840 2.1013 1.7183 2.7167
C2 1.3340 2.1013 1.0840 2.7167 1.7183
H3 1.0840 2.1013 2.4291 2.3802 3.7051
H4 2.1013 1.0840 2.4291 3.7051 2.3802
Cl5 1.7183 2.7167 2.3802 3.7051 3.3193
Cl6 2.7167 1.7183 3.7051 2.3802 3.3193
Maximum atom distance is 3.7051Å 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 123.797 C2 C1 Cl5 123.797
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 120.278 C2 C1 H3 120.278
H3 C1 Cl5 115.925 H4 C2 Cl6 115.925

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