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

QCISD(TQ)/6-31+G**


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
Ga1 0.0000 0.0000 -1.3215
As2 0.0000 0.0000 1.2414
Atom - Atom Distances (Å)
  Ga1 As2
Ga1 2.5628
As2 2.5628
Maximum atom distance is 2.5628Å 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.