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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=FULL/6-31G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.6516 -0.8527 0.4233   -0.6605 -0.8430 0.4289
C2 -0.3984 -0.0962 -0.3672   0.3992 -0.1031 -0.3645
Cl3 2.3839 -0.3309 -0.0964   -2.3862 -0.3121 -0.1036
H4 0.5709 -0.6629 1.4949   -0.5828 -0.6434 1.4988
H5 0.5862 -1.9216 0.2104   -0.6030 -1.9145 0.2268
Cl6 -2.0701 -0.8890 -0.0183   2.0627 -0.9063 -0.0004
Cl7 -0.4562 1.7155 0.0795   0.4701 1.7123 0.0646
H8 -0.2558 -0.1469 -1.4450   0.2608 -0.1633 -1.4424
Atom - Atom Distances (Å)
  C1 C2 Cl3 H4 H5 Cl6 Cl7 H8
C1 1.5165 1.8824 1.0912 1.0919 2.7575 2.8179 2.1937
C2 1.5165 2.8053 2.1745 2.1530 1.8828 1.8668 1.0883
Cl3 1.8824 2.8053 2.4351 2.4200 4.4895 3.5050 2.9700
H4 1.0912 2.1745 2.4351 1.7985 3.0521 2.9521 3.0972
H5 1.0919 2.1530 2.4200 1.7985 2.8591 3.7858 2.5689
Cl6 2.7575 1.8828 4.4895 3.0521 2.8591 3.0655 2.4244
Cl7 2.8179 1.8668 3.5050 2.9521 3.7858 3.0655 2.4151
H8 2.1937 1.0883 2.9700 3.0972 2.5689 2.4244 2.4151
Maximum atom distance is 4.4895Å 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 107.942 C1 C2 Cl7 112.382
C2 C1 Cl3 110.792 Cl6 C2 Cl7 109.681
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 113.723 C2 C1 H4 111.963
C2 C1 H5 110.195 Cl3 C1 H4 106.916
Cl3 C1 H5 105.822 H4 C1 H5 110.933
Cl6 C2 H8 106.275 Cl7 C2 H8 106.635

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