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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

TPSSh/6-31G(2df,p)


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4767 0.5926 0.0000   0.6738 0.3528 0.0000
C2 -0.4767 -0.5926 0.0000   -0.6738 -0.3528 0.0000
Cl3 -0.4767 2.1151 0.0000   1.9825 -0.8779 0.0000
Cl4 0.4767 -2.1151 0.0000   -1.9825 0.8779 0.0000
H5 1.1060 0.5986 0.8903   0.8018 0.9689 0.8903
H6 1.1060 0.5986 -0.8903   0.8018 0.9689 -0.8903
H7 -1.1060 -0.5986 0.8903   -0.8018 -0.9689 0.8903
H8 -1.1060 -0.5986 -0.8903   -0.8018 -0.9689 -0.8903
Atom - Atom Distances (Å)
  C1 C2 Cl3 Cl4 H5 H6 H7 H8
C1 1.5211 1.7965 2.7077 1.0902 1.0902 2.1718 2.1718
C2 1.5211 2.7077 1.7965 2.1718 2.1718 1.0902 1.0902
Cl3 1.7965 2.7077 4.3364 2.3659 2.3659 2.9245 2.9245
Cl4 2.7077 1.7965 4.3364 2.9245 2.9245 2.3659 2.3659
H5 1.0902 2.1718 2.3659 2.9245 1.7805 2.5152 3.0817
H6 1.0902 2.1718 2.3659 2.9245 1.7805 3.0817 2.5152
H7 2.1718 1.0902 2.9245 2.3659 2.5152 3.0817 1.7805
H8 2.1718 1.0902 2.9245 2.3659 3.0817 2.5152 1.7805
Maximum atom distance is 4.3364Å 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 109.126 C2 C1 Cl3 109.126
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.477 C1 C2 H8 111.477
C2 C1 H5 111.477 C2 C1 H6 111.477
Cl3 C1 H5 107.557 Cl3 C1 H6 107.557
Cl4 C2 H7 107.557 Cl4 C2 H8 107.557
H5 C1 H6 109.489 H7 C2 H8 109.489

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