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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=

HF/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.2744 0.2772 0.0000   -0.2045 0.1830 0.2772
C2 -1.2546 0.3697 0.0000   0.9350 -0.8366 0.3697
Cl3 -2.0768 -1.2001 0.0000   1.5477 -1.3848 -1.2001
Cl4 0.8689 1.9565 0.0000   -0.6476 0.5794 1.9565
Cl5 0.8689 -0.5456 1.4483   -1.6133 -0.5000 -0.5456
Cl6 0.8689 -0.5456 -1.4483   0.3182 1.6587 -0.5456
H7 -1.5637 0.9052 0.8830   0.5766 -1.7007 0.9052
H8 -1.5637 0.9052 -0.8830   1.7541 -0.3846 0.9052
Atom - Atom Distances (Å)
  C1 C2 Cl3 Cl4 Cl5 Cl6 H7 H8
C1 1.5319 2.7768 1.7814 1.7686 1.7686 2.1338 2.1338
C2 1.5319 1.7721 2.6509 2.7286 2.7286 1.0779 1.0779
Cl3 2.7768 1.7721 4.3176 3.3471 3.3471 2.3400 2.3400
Cl4 1.7814 2.6509 4.3176 2.8911 2.8911 2.7933 2.7933
Cl5 1.7686 2.7286 3.3471 2.8911 2.8967 2.8883 3.6685
Cl6 1.7686 2.7286 3.3471 2.8911 2.8967 3.6685 2.8883
H7 2.1338 1.0779 2.3400 2.7933 2.8883 3.6685 1.7660
H8 2.1338 1.0779 2.3400 2.7933 3.6685 2.8883 1.7660
Maximum atom distance is 4.3176Å 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 114.178 C2 C1 Cl4 106.029
C2 C1 Cl5 111.322 C2 C1 Cl6 111.322
Cl4 C1 Cl5 109.050 Cl4 C1 Cl6 109.050
Cl5 C1 Cl6 109.950
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 108.435 C1 C2 H8 108.435
Cl3 C2 H7 107.881 Cl3 C2 H8 107.881
H7 C2 H8 109.998

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