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Geometry for CH2ClCH2Cl (Ethane, 1,2-dichloro-) 1A C2

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

CCSD=FULL/TZVP


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.2979 0.6938 0.8941   0.6469 0.8941 0.3893
C2 -0.2979 -0.6938 0.8941   -0.6469 0.8941 -0.3893
Cl3 -0.2979 1.6966 -0.4705   1.7213 -0.4705 -0.0649
Cl4 0.2979 -1.6966 -0.4705   -1.7213 -0.4705 0.0649
H5 0.0106 1.2022 1.8120   1.1896 1.8120 0.1736
H6 1.3806 0.6533 0.8221   0.4599 0.8221 1.4565
H7 -0.0106 -1.2022 1.8120   -1.1896 1.8120 -0.1736
H8 -1.3806 -0.6533 0.8221   -0.4599 0.8221 -1.4565
Atom - Atom Distances (Å)
  C1 C2 Cl3 Cl4 H5 H6 H7 H8
C1 1.5101 1.7952 2.7524 1.0879 1.0859 2.1289 2.1534
C2 1.5101 2.7524 1.7952 2.1289 2.1534 1.0879 1.0859
Cl3 1.7952 2.7524 3.4451 2.3557 2.3615 3.7007 2.8923
Cl4 2.7524 1.7952 3.4451 3.7007 2.8923 2.3557 2.3615
H5 1.0879 2.1289 2.3557 3.7007 1.7771 2.4044 2.5216
H6 1.0859 2.1534 2.3615 2.8923 1.7771 2.5216 3.0548
H7 2.1289 1.0879 3.7007 2.3557 2.4044 2.5216 1.7771
H8 2.1534 1.0859 2.8923 2.3615 2.5216 3.0548 1.7771
Maximum atom distance is 3.7007Å between atoms Cl3 and H7.
picture of Ethane, 1,2-dichloro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 Cl4 112.479 C2 C1 Cl3 112.479
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 108.977 C1 C2 H8 111.050
C2 C1 H5 108.977 C2 C1 H6 111.050
Cl3 C1 H5 107.018 Cl3 C1 H6 107.537
Cl4 C2 H7 107.018 Cl4 C2 H8 107.537
H5 C1 H6 109.674 H7 C2 H8 109.674

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