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 AsCl3 (Arsenous trichloride) 1A1 C3V

1910171554
1S/AsCl3/c2-1(3)4 INChIKey=OEYOHULQRFXULB-UHFFFAOYSA-N

CID/6-31G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
As1 0.0000 0.0000 0.6447   0.0000 0.0000 0.6447
Cl2 0.0000 1.8983 -0.4172   0.0000 1.8983 -0.4172
Cl3 1.6440 -0.9491 -0.4172   1.6440 -0.9491 -0.4172
Cl4 -1.6440 -0.9491 -0.4172   -1.6440 -0.9491 -0.4172
Atom - Atom Distances (Å)
  As1 Cl2 Cl3 Cl4
As1 2.1751 2.1751 2.1751
Cl2 2.1751 3.2879 3.2879
Cl3 2.1751 3.2879 3.2879
Cl4 2.1751 3.2879 3.2879
Maximum atom distance is 3.2879Å between atoms Cl2 and Cl3.
picture of Arsenous trichloride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl2 As1 Cl3 98.192 Cl2 As1 Cl4 98.192
Cl3 As1 Cl4 98.192

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