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 GaAs (Gallium arsenide) 3Π C*V

1910171554
InChI=1S/As.Ga INChIKey=JBRZTFJDHDCESZ-UHFFFAOYSA-N

G3B3
This model chemistry uses a geometry from B3LYP/6-31G*


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
Ga1 0.0000 0.0000 -1.3057
As2 0.0000 0.0000 1.2266
Atom - Atom Distances (Å)
  Ga1 As2
Ga1 2.5323
As2 2.5323
Maximum atom distance is 2.5323Å between atoms Ga1 and As2.
picture of Gallium arsenide

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