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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

wB97X-D/6-311G**


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.3720 0.5457 0.0000   0.5969 -0.2825 0.0000
C2 0.3720 -0.5457 0.0000   -0.5969 0.2825 0.0000
H3 -1.4461 0.5207 0.0000   0.7394 -1.3474 0.0000
H4 1.4461 -0.5207 0.0000   -0.7394 1.3474 0.0000
Cl5 0.3720 2.1068 0.0000   2.0232 0.6953 0.0000
Cl6 -0.3720 -2.1068 0.0000   -2.0232 -0.6953 0.0000
Atom - Atom Distances (Å)
  C1 C2 H3 H4 Cl5 Cl6
C1 1.3208 1.0744 2.1077 1.7293 2.6525
C2 1.3208 2.1077 1.0744 2.6525 1.7293
H3 1.0744 2.1077 3.0739 2.4127 2.8386
H4 2.1077 1.0744 3.0739 2.8386 2.4127
Cl5 1.7293 2.6525 2.4127 2.8386 4.2787
Cl6 2.6525 1.7293 2.8386 2.4127 4.2787
Maximum atom distance is 4.2787Å 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 120.240 C2 C1 Cl5 120.240
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 122.946 C2 C1 H3 122.946
H3 C1 Cl5 116.814 H4 C2 Cl6 116.814

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