return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry

Geometry for CH2ClCH2OH (2-Chloroethanol)

1910171554

QCISD/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0532 -0.4808 0.0000   -0.4829 0.0287 0.0000
O2 0.0532 1.0640 0.0000   1.0599 0.1071 0.0000
H3 -1.2757 -0.8187 0.0000   -0.7530 -1.3156 0.0000
Atom - Atom Distances (Å)
  S1 O2 H3
S1 1.5448 1.3711
O2 1.5448 2.3044
H3 1.3711 2.3044
Maximum atom distance is 2.3044Å between atoms O2 and H3.
picture of 2-Chloroethanol
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle

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