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Geometry for CHClCCl2 (Trichloroethylene) 1A' CS

1910171554
InChI=1S/C2HCl3/c3-1-2(4)5/h1H INChIKey=XSTXAVWGXDQKEL-UHFFFAOYSA-N

B3LYP/SDD


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.0713 -0.3627 0.0000   -0.4271 -1.0473 0.0000
C2 0.0000 0.4427 0.0000   0.4419 -0.0269 0.0000
H3 -2.0852 0.0163 0.0000   -0.1105 -2.0823 0.0000
Cl4 -0.9770 -2.1577 0.0000   -2.2131 -0.8441 0.0000
Cl5 -0.2250 2.2358 0.0000   2.2180 -0.3605 0.0000
Cl6 1.7028 -0.1073 0.0000   -0.0037 1.7062 0.0000
Atom - Atom Distances (Å)
  C1 C2 H3 Cl4 Cl5 Cl6
C1 1.3403 1.0824 1.7975 2.7328 2.7858
C2 1.3403 2.1283 2.7779 1.8071 1.7894
H3 1.0824 2.1283 2.4401 2.8960 3.7900
Cl4 1.7975 2.7779 2.4401 4.4574 3.3742
Cl5 2.7328 1.8071 2.8960 4.4574 3.0342
Cl6 2.7858 1.7894 3.7900 3.3742 3.0342
Maximum atom distance is 4.4574Å between atoms Cl4 and Cl5.
picture of Trichloroethylene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 Cl5 119.784 C1 C2 Cl6 125.161
C2 C1 Cl4 123.929 Cl5 C2 Cl6 115.055
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H3 122.569 H3 C1 Cl4 113.501

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