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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

MP2=FULL/6-31G*


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.7567 0.0000   0.7425 -0.1456 0.0000
C2 0.0000 -0.7567 0.0000   -0.7425 0.1456 0.0000
Cl3 -1.6821 1.3475 0.0000   0.9986 -1.9100 0.0000
Cl4 1.6821 -1.3475 0.0000   -0.9986 1.9100 0.0000
H5 0.4954 1.1469 0.8887   1.2208 0.2654 0.8887
H6 0.4954 1.1469 -0.8887   1.2208 0.2654 -0.8887
H7 -0.4954 -1.1469 0.8887   -1.2208 -0.2654 0.8887
H8 -0.4954 -1.1469 -0.8887   -1.2208 -0.2654 -0.8887
Atom - Atom Distances (Å)
  C1 C2 Cl3 Cl4 H5 H6 H7 H8
C1 1.5133 1.7828 2.6939 1.0897 1.0897 2.1584 2.1584
C2 1.5133 2.6939 1.7828 2.1584 2.1584 1.0897 1.0897
Cl3 1.7828 2.6939 4.3105 2.3604 2.3604 2.9017 2.9017
Cl4 2.6939 1.7828 4.3105 2.9017 2.9017 2.3604 2.3604
H5 1.0897 2.1584 2.3604 2.9017 1.7774 2.4987 3.0663
H6 1.0897 2.1584 2.3604 2.9017 1.7774 3.0663 2.4987
H7 2.1584 1.0897 2.9017 2.3604 2.4987 3.0663 1.7774
H8 2.1584 1.0897 2.9017 2.3604 3.0663 2.4987 1.7774
Maximum atom distance is 4.3105Å 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 109.354 C2 C1 Cl3 109.354
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 110.984 C1 C2 H8 110.984
C2 C1 H5 110.984 C2 C1 H6 110.984
Cl3 C1 H5 108.076 Cl3 C1 H6 108.076
Cl4 C2 H7 108.076 Cl4 C2 H8 108.076
H5 C1 H6 109.275 H7 C2 H8 109.275

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