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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

MP3/6-31+G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.6692 -0.8203 0.4039   -0.6779 -0.8105 0.4090
C2 -0.4204 -0.0766 -0.3481   0.4213 -0.0836 -0.3454
Cl3 2.2953 -0.3062 -0.0961   -2.2974 -0.2877 -0.1035
H4 0.5522 -0.6518 1.4676   -0.5642 -0.6325 1.4715
H5 0.5667 -1.8799 0.2026   -0.5836 -1.8729 0.2187
Cl6 -1.9816 -0.8639 -0.0176   1.9742 -0.8808 -0.0001
Cl7 -0.4531 1.6440 0.0789   0.4668 1.6408 0.0646
H8 -0.2412 -0.1428 -1.4127   0.2462 -0.1589 -1.4101
Atom - Atom Distances (Å)
  C1 C2 Cl3 H4 H5 Cl6 Cl7 H8
C1 1.5184 1.7773 1.0833 1.0834 2.6844 2.7272 2.1419
C2 1.5184 2.7370 2.1385 2.1283 1.7794 1.7730 1.0816
Cl3 1.7773 2.7370 2.3671 2.3567 4.3138 3.3746 2.8625
H4 1.0833 2.1385 2.3671 1.7631 2.9446 2.8653 3.0306
H5 1.0834 2.1283 2.3567 1.7631 2.7522 3.6705 2.5058
Cl6 2.6844 1.7794 4.3138 2.9446 2.7522 2.9385 2.3442
Cl7 2.7272 1.7730 3.3746 2.8653 3.6705 2.9385 2.3372
H8 2.1419 1.0816 2.8625 3.0306 2.5058 2.3442 2.3372
Maximum atom distance is 4.3138Å 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 108.716 C1 C2 Cl7 111.672
C2 C1 Cl3 112.058 Cl6 C2 Cl7 111.620
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 109.786 C2 C1 H4 109.426
C2 C1 H5 108.612 Cl3 C1 H4 109.273
Cl3 C1 H5 108.492 H4 C1 H5 108.924
Cl6 C2 H8 107.522 Cl7 C2 H8 107.428

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