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 AsH3 (Arsine) 1A1 C3V

1910171554
InChI=1S/AsH3/h1H3 INChIKey=RBFQJDQYXXHULB-UHFFFAOYSA-N

PBE1PBE/3-21G


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
As1 0.0000 0.0000 0.0729   0.0000 0.0000 0.0729
H2 0.0000 1.2642 -0.8019   1.2642 -0.0000 -0.8019
H3 1.0948 -0.6321 -0.8019   -0.6321 1.0948 -0.8019
H4 -1.0948 -0.6321 -0.8019   -0.6321 -1.0948 -0.8019
Atom - Atom Distances (Å)
  As1 H2 H3 H4
As1 1.5373 1.5373 1.5373
H2 1.5373 2.1896 2.1896
H3 1.5373 2.1896 2.1896
H4 1.5373 2.1896 2.1896
Maximum atom distance is 2.1896Å between atoms H2 and H3.
picture of Arsine
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
H2 As1 H3 90.821 H2 As1 H4 90.821
H3 As1 H4 90.821

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