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

CCSD/aug-cc-pVQZ


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
Cl1 0.0000 0.0000 0.9975
Cl2 0.0000 0.0000 -0.9975
Atom - Atom Distances (Å)
  Cl1 Cl2
Cl1 1.9950
Cl2 1.9950
Maximum atom distance is 1.9950Å 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.