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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

BLYP/cc-pVDZ


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.7628 0.0000   0.4851 -0.5886 0.0000
C2 0.0000 -0.7628 0.0000   -0.4851 0.5886 0.0000
Cl3 -1.7428 1.3631 0.0000   2.2118 0.0563 0.0000
Cl4 1.7428 -1.3631 0.0000   -2.2118 -0.0563 0.0000
H5 0.4807 1.1760 0.9043   0.3770 -1.2133 0.9043
H6 0.4807 1.1760 -0.9043   0.3770 -1.2133 -0.9043
H7 -0.4807 -1.1760 0.9043   -0.3770 1.2133 0.9043
H8 -0.4807 -1.1760 -0.9043   -0.3770 1.2133 -0.9043
Atom - Atom Distances (Å)
  C1 C2 Cl3 Cl4 H5 H6 H7 H8
C1 1.5255 1.8433 2.7489 1.1044 1.1044 2.1927 2.1927
C2 1.5255 2.7489 1.8433 2.1927 2.1927 1.1044 1.1044
Cl3 1.8433 2.7489 4.4251 2.4076 2.4076 2.9762 2.9762
Cl4 2.7489 1.8433 4.4251 2.9762 2.9762 2.4076 2.4076
H5 1.1044 2.1927 2.4076 2.9762 1.8087 2.5410 3.1189
H6 1.1044 2.1927 2.4076 2.9762 1.8087 3.1189 2.5410
H7 2.1927 1.1044 2.9762 2.4076 2.5410 3.1189 1.8087
H8 2.1927 1.1044 2.9762 2.4076 3.1189 2.5410 1.8087
Maximum atom distance is 4.4251Å 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 109.007 C2 C1 Cl3 109.007
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.977 C1 C2 H8 111.977
C2 C1 H5 111.977 C2 C1 H6 111.977
Cl3 C1 H5 106.834 Cl3 C1 H6 106.834
Cl4 C2 H7 106.834 Cl4 C2 H8 106.834
H5 C1 H6 109.942 H7 C2 H8 109.942

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