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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 0.6778 -0.8196 0.4049   0.6688 -0.8212 0.4165
C2 -0.4112 -0.0786 -0.3538   -0.4102 -0.0787 -0.3549
Cl3 2.3022 -0.2866 -0.0956   2.3001 -0.3075 -0.0818
H4 0.5816 -0.6588 1.4667   0.5691 -0.6487 1.4760
H5 0.6064 -1.8727 0.1849   0.5892 -1.8759 0.2069
Cl6 -1.9672 -0.8766 -0.0167   -1.9746 -0.8596 -0.0170
Cl7 -0.4841 1.6369 0.0804   -0.4702 1.6418 0.0613
H8 -0.2542 -0.1318 -1.4163   -0.2487 -0.1442 -1.4160
Atom - Atom Distances (Å)
  C1 C2 Cl3 H4 H5 Cl6 Cl7 H8
C1 1.5201 1.7813 1.0781 1.0783 2.6790 2.7367 2.1583
C2 1.5201 2.7336 2.1532 2.1318 1.7809 1.7711 1.0753
Cl3 1.7813 2.7336 2.3536 2.3388 4.3107 3.3904 2.8815
H4 1.0781 2.1532 2.3536 1.7655 2.9571 2.8858 3.0475
H5 1.0783 2.1318 2.3388 1.7655 2.7670 3.6766 2.5169
Cl6 2.6790 1.7809 4.3107 2.9571 2.7670 2.9200 2.3341
Cl7 2.7367 1.7711 3.3904 2.8858 3.6766 2.9200 2.3283
H8 2.1583 1.0753 2.8815 3.0475 2.5169 2.3341 2.3283
Maximum atom distance is 4.3107Å 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 108.246 C1 C2 Cl7 112.288
C2 C1 Cl3 111.546 Cl6 C2 Cl7 110.587
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 111.372 C2 C1 H4 110.790
C2 C1 H5 109.072 Cl3 C1 H4 108.268
Cl3 C1 H5 107.173 H4 C1 H5 109.919
Cl6 C2 H8 107.006 Cl7 C2 H8 107.226

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