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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/SDD


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.2520 0.2917 0.0000   0.3814 0.0000 0.0557
C2 -1.2721 0.3843 0.0000   -0.7105 0.0000 1.1230
Cl3 -2.0936 -1.2679 0.0000   -2.4128 0.0000 0.4112
Cl4 0.8809 2.0351 0.0000   1.9978 0.0000 0.9624
Cl5 0.8809 -0.5560 1.4991   0.3022 1.4991 -0.9969
Cl6 0.8809 -0.5560 -1.4991   0.3022 -1.4991 -0.9969
H7 -1.6073 0.9036 0.8966   -0.6240 0.8966 1.7351
H8 -1.6073 0.9036 -0.8966   -0.6240 -0.8966 1.7351
Atom - Atom Distances (Å)
  C1 C2 Cl3 Cl4 Cl5 Cl6 H7 H8
C1 1.5269 2.8167 1.8534 1.8334 1.8334 2.1529 2.1529
C2 1.5269 1.8451 2.7131 2.7869 2.7869 1.0890 1.0890
Cl3 2.8167 1.8451 4.4449 3.4061 3.4061 2.3991 2.3991
Cl4 1.8534 2.7131 4.4449 2.9936 2.9936 2.8766 2.8766
Cl5 1.8334 2.7869 3.4061 2.9936 2.9982 2.9470 3.7498
Cl6 1.8334 2.7869 3.4061 2.9936 2.9982 3.7498 2.9470
H7 2.1529 1.0890 2.3991 2.8766 2.9470 3.7498 1.7932
H8 2.1529 1.0890 2.3991 2.8766 3.7498 2.9470 1.7932
Maximum atom distance is 4.4449Å 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 112.960 C2 C1 Cl4 106.360
C2 C1 Cl5 111.741 C2 C1 Cl6 111.741
Cl4 C1 Cl5 108.575 Cl4 C1 Cl6 108.575
Cl5 C1 Cl6 109.700
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 109.640 C1 C2 H8 109.640
Cl3 C2 H7 106.860 Cl3 C2 H8 106.860
H7 C2 H8 110.836

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