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Geometry for CH3CHCl2 (Ethane, 1,1-dichloro-) 1A' CS

1910171554
InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3 INChIKey=SCYULBFZEHDVBN-UHFFFAOYSA-N

QCISD/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.2121 0.4954 0.0000   0.0000 0.3315 0.4249
C2 -0.9752 1.4408 0.0000   0.0000 1.7325 -0.1586
H3 1.1594 1.0356 0.0000   0.0000 0.3474 1.5152
Cl4 0.2121 -0.5199 1.4703   1.4703 -0.5578 -0.0652
Cl5 0.2121 -0.5199 -1.4703   -1.4703 -0.5578 -0.0652
H6 -1.9118 0.8750 0.0000   0.0000 1.6891 -1.2521
H7 -0.9412 2.0751 0.8924   0.8924 2.2717 0.1772
H8 -0.9412 2.0751 -0.8924   -0.8924 2.2717 0.1772
Atom - Atom Distances (Å)
  C1 C2 H3 Cl4 Cl5 H6 H7 H8
C1 1.5177 1.0904 1.7868 1.7868 2.1577 2.1499 2.1499
C2 1.5177 2.1726 2.7232 2.7232 1.0943 1.0954 1.0954
H3 1.0904 2.1726 2.3406 2.3406 3.0754 2.5079 2.5079
Cl4 1.7868 2.7232 2.3406 2.9406 2.9358 2.8980 3.6942
Cl5 1.7868 2.7232 2.3406 2.9406 2.9358 3.6942 2.8980
H6 2.1577 1.0943 3.0754 2.9358 2.9358 1.7829 1.7829
H7 2.1499 1.0954 2.5079 2.8980 3.6942 1.7829 1.7849
H8 2.1499 1.0954 2.5079 3.6942 2.8980 1.7829 1.7849
Maximum atom distance is 3.6942Å between atoms Cl4 and H8.
picture of Ethane, 1,1-dichloro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 Cl4 110.730 C2 C1 Cl5 110.730
Cl4 C1 Cl5 110.742
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 110.341 C1 C2 H7 109.661
C1 C2 H8 109.661 C2 C1 H3 111.779
H3 C1 Cl4 106.349 H3 C1 Cl5 106.349
H6 C2 H7 109.020 H6 C2 H8 109.020
H7 C2 H8 109.113

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