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

B2PLYP=FULLultrafine/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 0.0705   0.0000 0.0000 0.0705
H2 0.0000 1.2505 -0.7755   1.2505 0.0000 -0.7755
H3 1.0830 -0.6253 -0.7755   -0.6253 1.0830 -0.7755
H4 -1.0830 -0.6253 -0.7755   -0.6253 -1.0830 -0.7755
Atom - Atom Distances (Å)
  As1 H2 H3 H4
As1 1.5098 1.5098 1.5098
H2 1.5098 2.1660 2.1660
H3 1.5098 2.1660 2.1660
H4 1.5098 2.1660 2.1660
Maximum atom distance is 2.1660Å between atoms H3 and H4.
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 91.664 H2 As1 H4 91.664
H3 As1 H4 91.664

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