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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

QCISD/aug-cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6660 0.9830   0.9830 0.0000 0.6660
C2 0.0000 -0.6660 0.9830   0.9830 0.0000 -0.6660
H3 0.0000 1.2084 1.9076   1.9076 0.0000 1.2084
H4 0.0000 -1.2084 1.9076   1.9076 0.0000 -1.2084
Cl5 0.0000 1.6134 -0.4591   -0.4591 0.0000 1.6134
Cl6 0.0000 -1.6134 -0.4591   -0.4591 0.0000 -1.6134
Atom - Atom Distances (Å)
  C1 C2 H3 H4 Cl5 Cl6
C1 1.3320 1.0720 2.0900 1.7254 2.6973
C2 1.3320 2.0900 1.0720 2.6973 1.7254
H3 1.0720 2.0900 2.4167 2.4012 3.6829
H4 2.0900 1.0720 2.4167 3.6829 2.4012
Cl5 1.7254 2.6973 2.4012 3.6829 3.2268
Cl6 2.6973 1.7254 3.6829 2.4012 3.2268
Maximum atom distance is 3.6829Å 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 123.302 C2 C1 Cl5 123.302
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 120.394 C2 C1 H3 120.394
H3 C1 Cl5 116.304 H4 C2 Cl6 116.304

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