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Geometry for CH2ClCH2Cl (Ethane, 1,2-dichloro-) 1Ag C2H

1910171554
InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2 INChIKey=WSLDOOZREJYCGB-UHFFFAOYSA-N

B3LYP/6-31G


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.7547 0.0000   0.4783 -0.5837 0.0000
C2 0.0000 -0.7547 0.0000   -0.4783 0.5837 0.0000
Cl3 -1.8036 1.3407 0.0000   2.2448 0.1061 0.0000
Cl4 1.8036 -1.3407 0.0000   -2.2448 -0.1061 0.0000
H5 0.4484 1.1779 0.8964   0.3997 -1.1953 0.8964
H6 0.4484 1.1779 -0.8964   0.3997 -1.1953 -0.8964
H7 -0.4484 -1.1779 0.8964   -0.3997 1.1953 0.8964
H8 -0.4484 -1.1779 -0.8964   -0.3997 1.1953 -0.8964
Atom - Atom Distances (Å)
  C1 C2 Cl3 Cl4 H5 H6 H7 H8
C1 1.5093 1.8964 2.7646 1.0880 1.0880 2.1770 2.1770
C2 1.5093 2.7646 1.8964 2.1770 2.1770 1.0880 1.0880
Cl3 1.8964 2.7646 4.4945 2.4293 2.4293 2.9972 2.9972
Cl4 2.7646 1.8964 4.4945 2.9972 2.9972 2.4293 2.4293
H5 1.0880 2.1770 2.4293 2.9972 1.7928 2.5207 3.0932
H6 1.0880 2.1770 2.4293 2.9972 1.7928 3.0932 2.5207
H7 2.1770 1.0880 2.9972 2.4293 2.5207 3.0932 1.7928
H8 2.1770 1.0880 2.9972 2.4293 3.0932 2.5207 1.7928
Maximum atom distance is 4.4945Å between atoms Cl3 and Cl4.
picture of Ethane, 1,2-dichloro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 Cl4 107.999 C2 C1 Cl3 107.999
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 112.890 C1 C2 H8 112.890
C2 C1 H5 112.890 C2 C1 H6 112.890
Cl3 C1 H5 105.771 Cl3 C1 H6 105.771
Cl4 C2 H7 105.771 Cl4 C2 H8 105.771
H5 C1 H6 110.957 H7 C2 H8 110.957

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