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

BLYP/cc-pVTZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
As1 0.0000 0.0000 0.6249   0.0000 0.0000 0.6249
Cl2 0.0000 1.9794 -0.4043   0.0000 1.9794 -0.4043
Cl3 1.7143 -0.9897 -0.4043   1.7143 -0.9897 -0.4043
Cl4 -1.7143 -0.9897 -0.4043   -1.7143 -0.9897 -0.4043
Atom - Atom Distances (Å)
  As1 Cl2 Cl3 Cl4
As1 2.2310 2.2310 2.2310
Cl2 2.2310 3.4285 3.4285
Cl3 2.2310 3.4285 3.4285
Cl4 2.2310 3.4285 3.4285
Maximum atom distance is 3.4285Å 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 100.414 Cl2 As1 Cl4 100.414
Cl3 As1 Cl4 100.414

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