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

HSEh1PBE/cc-pVDZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
As1 0.0000 0.0000 0.6282   0.0000 -0.0000 0.6282
Cl2 0.0000 1.9283 -0.4065   0.0000 1.9283 -0.4065
Cl3 1.6699 -0.9641 -0.4065   1.6699 -0.9641 -0.4065
Cl4 -1.6699 -0.9641 -0.4065   -1.6699 -0.9641 -0.4065
Atom - Atom Distances (Å)
  As1 Cl2 Cl3 Cl4
As1 2.1884 2.1884 2.1884
Cl2 2.1884 3.3399 3.3399
Cl3 2.1884 3.3399 3.3399
Cl4 2.1884 3.3399 3.3399
Maximum atom distance is 3.3399Å between atoms Cl3 and Cl4.
picture of Arsenous trichloride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl2 As1 Cl3 99.477 Cl2 As1 Cl4 99.477
Cl3 As1 Cl4 99.477

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