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 Cl2 (Chlorine diatomic) 1Σg D*H

1910171554
InChI=1S/Cl2/c1-2 INChIKey=KZBUYRJDOAKODT-UHFFFAOYSA-N

CISD/6-31G


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
Cl1 0.0000 0.0000 1.1226
Cl2 0.0000 0.0000 -1.1226
Atom - Atom Distances (Å)
  Cl1 Cl2
Cl1 2.2452
Cl2 2.2452
Maximum atom distance is 2.2452Å between atoms Cl1 and Cl2.
picture of Chlorine diatomic

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