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Geometry for CHClCHCl (Ethene, 1,2-dichloro-, (E)-) 1Ag C2H

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

PBEPBEultrafine/6-31G*


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.3688 0.5598 0.0000   0.6087 -0.2808 0.0000
C2 0.3688 -0.5598 0.0000   -0.6087 0.2808 0.0000
H3 -1.4608 0.5702 0.0000   0.7826 -1.3590 0.0000
H4 1.4608 -0.5702 0.0000   -0.7826 1.3590 0.0000
Cl5 0.3688 2.1349 0.0000   2.0556 0.6843 0.0000
Cl6 -0.3688 -2.1349 0.0000   -2.0556 -0.6843 0.0000
Atom - Atom Distances (Å)
  C1 C2 H3 H4 Cl5 Cl6
C1 1.3407 1.0921 2.1504 1.7393 2.6947
C2 1.3407 2.1504 1.0921 2.6947 1.7393
H3 1.0921 2.1504 3.1364 2.4074 2.9173
H4 2.1504 1.0921 3.1364 2.9173 2.4074
Cl5 1.7393 2.6947 2.4074 2.9173 4.3331
Cl6 2.6947 1.7393 2.9173 2.4074 4.3331
Maximum atom distance is 4.3331Å between atoms Cl5 and Cl6.
picture of Ethene, 1,2-dichloro-, (E)-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 Cl6 121.528 C2 C1 Cl5 121.528
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 123.930 C2 C1 H3 123.930
H3 C1 Cl5 114.542 H4 C2 Cl6 114.542

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