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 Br2 (Bromine diatomic) 1Σg D*H

1910171554
InChI=1S/Br2/c1-2 INChIKey=GDTBXPJZTBHREO-UHFFFAOYSA-N

MP4=FULL/3-21G


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
Br1 0.0000 0.0000 1.2570
Br2 0.0000 0.0000 -1.2570
Atom - Atom Distances (Å)
  Br1 Br2
Br1 2.5140
Br2 2.5140
Maximum atom distance is 2.5140Å between atoms Br1 and Br2.
picture of Bromine diatomic

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