|
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 GaBr (Gallium monobromide)
1Σ C*V
1910171554
InChI=1S/BrH.Ga/h1H;/q;+1/p-1 INChIKey=
B3LYP/CEP-31G
Point group is C∞v
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
Ga1 |
0.0000 |
0.0000 |
-1.2931 |
Br2 |
0.0000 |
0.0000 |
1.1453 |
Atom - Atom Distances (Å)
|
Ga1 |
Br2 |
Ga1 |
| 2.4384 |
Br2 |
2.4384 |
|
Maximum atom distance is 2.4384Å
between atoms Ga1 and Br2.
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.