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Geometry for CH2ClCCl3 (1,1,1,2-tetrachloroethane) 1A' CS

1910171554
InChI=1S/C2H2Cl4/c3-1-2(4,5)6/h1H2 INChIKey=

wB97X-D/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.2733 0.2801 0.0000   -0.2097 0.1752 0.2801
C2 -1.2584 0.3709 0.0000   0.9657 -0.8069 0.3709
Cl3 -2.0737 -1.2096 0.0000   1.5913 -1.3296 -1.2096
Cl4 0.8687 1.9727 0.0000   -0.6667 0.5570 1.9727
Cl5 0.8687 -0.5502 1.4576   -1.6013 -0.5616 -0.5502
Cl6 0.8687 -0.5502 -1.4576   0.2680 1.6756 -0.5502
H7 -1.5709 0.9140 0.8926   0.6332 -1.6922 0.9140
H8 -1.5709 0.9140 -0.8926   1.7778 -0.3223 0.9140
Atom - Atom Distances (Å)
  C1 C2 Cl3 Cl4 Cl5 Cl6 H7 H8
C1 1.5344 2.7798 1.7942 1.7801 1.7801 2.1446 2.1446
C2 1.5344 1.7783 2.6628 2.7382 2.7382 1.0905 1.0905
Cl3 2.7798 1.7783 4.3341 3.3492 3.3492 2.3577 2.3577
Cl4 1.7942 2.6628 4.3341 2.9137 2.9137 2.8052 2.8052
Cl5 1.7801 2.7382 3.3492 2.9137 2.9153 2.9008 3.6904
Cl6 1.7801 2.7382 3.3492 2.9137 2.9153 3.6904 2.9008
H7 2.1446 1.0905 2.3577 2.8052 2.9008 3.6904 1.7851
H8 2.1446 1.0905 2.3577 2.8052 3.6904 2.9008 1.7851
Maximum atom distance is 4.3341Å between atoms Cl3 and Cl4.
picture of 1,1,1,2-tetrachloroethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 Cl3 113.894 C2 C1 Cl4 105.992
C2 C1 Cl5 111.193 C2 C1 Cl6 111.193
Cl4 C1 Cl5 109.208 Cl4 C1 Cl6 109.208
Cl5 C1 Cl6 109.941
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 108.390 C1 C2 H8 108.390
Cl3 C2 H7 108.133 Cl3 C2 H8 108.133
H7 C2 H8 109.866

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