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 Se2 (Selenium diatomic) 3Σg D*H

1910171554
InChI=1S/Se2/c1-2 INChIKey=XIMIGUBYDJDCKI-UHFFFAOYSA-N

PBE1PBE/6-31G*


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
Se1 0.0000 0.0000 1.0823
Se2 0.0000 0.0000 -1.0823
Atom - Atom Distances (Å)
  Se1 Se2
Se1 2.1645
Se2 2.1645
Maximum atom distance is 2.1645Å between atoms Se1 and Se2.
picture of Selenium diatomic

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