|
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 SBr (Sulfur monobromide radical)
2Π C*V
1910171554
InChI=1S/BrS/c1-2 INChIKey=
B3LYP/6-31G
Point group is C∞v
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
S1 |
0.0000 |
0.0000 |
-1.5826 |
Br2 |
0.0000 |
0.0000 |
0.7235 |
Atom - Atom Distances (Å)
|
S1 |
Br2 |
S1 |
| 2.3061 |
Br2 |
2.3061 |
|
Maximum atom distance is 2.3061Å
between atoms S1 and Br2.
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.