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Geometry for CH2ClCHCl2 (1,1,2-trichloroethane) 1A C1

1910171554
InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2 INChIKey=UBOXGVDOUJQMTN-UHFFFAOYSA-N

HF/SDD


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.6574 -0.8373 0.4310   0.6486 -0.8382 0.4425
C2 -0.3971 -0.0932 -0.3633   -0.3962 -0.0937 -0.3642
Cl3 2.3616 -0.3146 -0.1000   2.3594 -0.3348 -0.0860
H4 0.5844 -0.6397 1.4838   0.5724 -0.6293 1.4929
H5 0.6012 -1.8916 0.2327   0.5847 -1.8939 0.2547
Cl6 -2.0369 -0.8871 -0.0210   -2.0439 -0.8707 -0.0214
Cl7 -0.4716 1.6878 0.0798   -0.4582 1.6923 0.0605
H8 -0.2503 -0.1481 -1.4212   -0.2450 -0.1605 -1.4208
Atom - Atom Distances (Å)
  C1 C2 Cl3 H4 H5 Cl6 Cl7 H8
C1 1.5155 1.8599 1.0737 1.0742 2.7324 2.7882 2.1748
C2 1.5155 2.7801 2.1619 2.1415 1.8537 1.8368 1.0695
Cl3 1.8599 2.7801 2.4026 2.3867 4.4363 3.4741 2.9317
H4 1.0737 2.1619 2.4026 1.7699 3.0326 2.9161 3.0622
H5 1.0742 2.1415 2.3867 1.7699 2.8342 3.7398 2.5496
Cl6 2.7324 1.8537 4.4363 3.0326 2.8342 3.0150 2.3872
Cl7 2.7882 1.8368 3.4741 2.9161 3.7398 3.0150 2.3817
H8 2.1748 1.0695 2.9317 3.0622 2.5496 2.3872 2.3817
Maximum atom distance is 4.4363Å between atoms Cl3 and Cl6.
picture of 1,1,2-trichloroethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 Cl6 107.968 C1 C2 Cl7 112.202
C2 C1 Cl3 110.487 Cl6 C2 Cl7 109.563
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 113.435 C2 C1 H4 112.100
C2 C1 H5 110.410 Cl3 C1 H4 106.893
Cl3 C1 H5 105.727 H4 C1 H5 110.975
Cl6 C2 H8 106.389 Cl7 C2 H8 107.092

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