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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/STO-3G


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4941 0.6073 0.0000   0.6918 0.3666 0.0000
C2 -0.4941 -0.6073 0.0000   -0.6918 -0.3666 0.0000
Cl3 -0.4941 2.1960 0.0000   2.0580 -0.9117 0.0000
Cl4 0.4941 -2.1960 0.0000   -2.0580 0.9117 0.0000
H5 1.1317 0.6135 0.9128   0.8219 0.9907 0.9128
H6 1.1317 0.6135 -0.9128   0.8219 0.9907 -0.9128
H7 -1.1317 -0.6135 0.9128   -0.8219 -0.9907 0.9128
H8 -1.1317 -0.6135 -0.9128   -0.8219 -0.9907 -0.9128
Atom - Atom Distances (Å)
  C1 C2 Cl3 Cl4 H5 H6 H7 H8
C1 1.5659 1.8710 2.8033 1.1134 1.1134 2.2286 2.2286
C2 1.5659 2.8033 1.8710 2.2286 2.2286 1.1134 1.1134
Cl3 1.8710 2.8033 4.5018 2.4455 2.4455 3.0221 3.0221
Cl4 2.8033 1.8710 4.5018 3.0221 3.0221 2.4455 2.4455
H5 1.1134 2.2286 2.4455 3.0221 1.8255 2.5746 3.1561
H6 1.1134 2.2286 2.4455 3.0221 1.8255 3.1561 2.5746
H7 2.2286 1.1134 3.0221 2.4455 2.5746 3.1561 1.8255
H8 2.2286 1.1134 3.0221 2.4455 3.1561 2.5746 1.8255
Maximum atom distance is 4.5018Å 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 108.981 C2 C1 Cl3 108.981
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.452 C1 C2 H8 111.452
C2 C1 H5 111.452 C2 C1 H6 111.452
Cl3 C1 H5 107.320 Cl3 C1 H6 107.320
Cl4 C2 H7 107.320 Cl4 C2 H8 107.320
H5 C1 H6 110.132 H7 C2 H8 110.132

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