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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

MP2/3-21G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.6278 -0.8730 0.4259   -0.6367 -0.8636 0.4319
C2 -0.3933 -0.1054 -0.3806   0.3941 -0.1125 -0.3778
Cl3 2.3761 -0.3457 -0.0945   -2.3784 -0.3274 -0.1016
H4 0.5413 -0.6697 1.4905   -0.5533 -0.6501 1.4948
H5 0.5655 -1.9383 0.2110   -0.5822 -1.9314 0.2281
Cl6 -2.0919 -0.8603 -0.0170   2.0848 -0.8773 0.0011
Cl7 -0.4175 1.7143 0.0809   0.4311 1.7116 0.0654
H8 -0.2475 -0.1622 -1.4536   0.2526 -0.1790 -1.4507
Atom - Atom Distances (Å)
  C1 C2 Cl3 H4 H5 Cl6 Cl7 H8
C1 1.5108 1.8988 1.0873 1.0885 2.7555 2.8118 2.1918
C2 1.5108 2.7945 2.1663 2.1515 1.8940 1.8775 1.0843
Cl3 1.8988 2.7945 2.4462 2.4306 4.4982 3.4755 2.9604
H4 1.0873 2.1663 2.4462 1.8020 3.0402 2.9308 3.0899
H5 1.0885 2.1515 2.4306 1.8020 2.8768 3.7848 2.5664
Cl6 2.7555 1.8940 4.4982 3.0402 2.8768 3.0727 2.4398
Cl7 2.8118 1.8775 3.4755 2.9308 3.7848 3.0727 2.4300
H8 2.1918 1.0843 2.9604 3.0899 2.5664 2.4398 2.4300
Maximum atom distance is 4.4982Å 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 107.527 C1 C2 Cl7 111.713
C2 C1 Cl3 109.567 Cl6 C2 Cl7 109.119
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 114.252 C2 C1 H4 111.957
C2 C1 H5 110.683 Cl3 C1 H4 106.835
Cl3 C1 H5 105.685 H4 C1 H5 111.827
Cl6 C2 H8 106.840 Cl7 C2 H8 107.203

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