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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/6-31G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.6573 -0.8240 0.4375   0.6486 -0.8248 0.4490
C2 -0.3914 -0.0938 -0.3556   -0.3905 -0.0943 -0.3564
Cl3 2.3592 -0.3118 -0.1025   2.3570 -0.3320 -0.0883
H4 0.5914 -0.6156 1.4889   0.5795 -0.6051 1.4979
H5 0.6015 -1.8809 0.2520   0.5849 -1.8831 0.2739
Cl6 -2.0259 -0.8959 -0.0238   -2.0330 -0.8796 -0.0241
Cl7 -0.4832 1.6872 0.0781   -0.4697 1.6917 0.0587
H8 -0.2406 -0.1472 -1.4139   -0.2354 -0.1597 -1.4134
Atom - Atom Distances (Å)
  C1 C2 Cl3 H4 H5 Cl6 Cl7 H8
C1 1.5040 1.8575 1.0739 1.0746 2.7236 2.7813 2.1661
C2 1.5040 2.7708 2.1542 2.1327 1.8507 1.8353 1.0703
Cl3 1.8575 2.7708 2.3979 2.3827 4.4246 3.4796 2.9165
H4 1.0739 2.1542 2.3979 1.7695 3.0360 2.9065 3.0558
H5 1.0746 2.1327 2.3827 1.7695 2.8195 3.7333 2.5476
Cl6 2.7236 1.8507 4.4246 3.0360 2.8195 3.0104 2.3833
Cl7 2.7813 1.8353 3.4796 2.9065 3.7333 3.0104 2.3769
H8 2.1661 1.0703 2.9165 3.0558 2.5476 2.3833 2.3769
Maximum atom distance is 4.4246Å 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 108.114 C1 C2 Cl7 112.417
C2 C1 Cl3 110.591 Cl6 C2 Cl7 109.512
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 113.517 C2 C1 H4 112.291
C2 C1 H5 110.499 Cl3 C1 H4 106.702
Cl3 C1 H5 105.583 H4 C1 H5 110.900
Cl6 C2 H8 106.265 Cl7 C2 H8 106.803

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