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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/6-311G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.6758 -0.8186 0.4074   -0.6846 -0.8086 0.4126
C2 -0.4098 -0.0805 -0.3541   0.4107 -0.0876 -0.3514
Cl3 2.3037 -0.2875 -0.0961   -2.3056 -0.2689 -0.1038
H4 0.5832 -0.6511 1.4677   -0.5954 -0.6310 1.4716
H5 0.6078 -1.8718 0.1898   -0.6246 -1.8645 0.2061
Cl6 -1.9689 -0.8762 -0.0170   1.9614 -0.8931 0.0010
Cl7 -0.4838 1.6373 0.0801   0.4974 1.6338 0.0656
H8 -0.2541 -0.1326 -1.4154   0.2594 -0.1492 -1.4127
Atom - Atom Distances (Å)
  C1 C2 Cl3 H4 H5 Cl6 Cl7 H8
C1 1.5176 1.7849 1.0774 1.0776 2.6791 2.7354 2.1582
C2 1.5176 2.7336 2.1519 2.1307 1.7826 1.7733 1.0739
Cl3 1.7849 2.7336 2.3533 2.3383 4.3137 3.3920 2.8822
H4 1.0774 2.1519 2.3533 1.7674 2.9612 2.8811 3.0467
H5 1.0776 2.1307 2.3383 1.7674 2.7700 3.6765 2.5188
Cl6 2.6791 1.7826 4.3137 2.9612 2.7700 2.9211 2.3343
Cl7 2.7354 1.7733 3.3920 2.8811 3.6765 2.9211 2.3284
H8 2.1582 1.0739 2.8822 3.0467 2.5188 2.3343 2.3284
Maximum atom distance is 4.3137Å 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 108.279 C1 C2 Cl7 112.214
C2 C1 Cl3 111.480 Cl6 C2 Cl7 110.466
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 111.628 C2 C1 H4 110.904
C2 C1 H5 109.200 Cl3 C1 H4 108.042
Cl3 C1 H5 106.941 H4 C1 H5 110.193
Cl6 C2 H8 106.980 Cl7 C2 H8 107.158

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