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Computational Chemistry Comparison and Benchmark DataBase
Release 22 (May 2022) Standard Reference Database 101
National Institute of Standards and Technology
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Geometry for HBr (hydrogen bromide)
1Σ C*V
1910171554
InChI=1S/BrH/h1H INChIKey=CPELXLSAUQHCOX-UHFFFAOYSA-N
B3LYPultrafine/TZVP
Point group is C∞v
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
H1 |
0.0000 |
0.0000 |
-1.3851 |
Br2 |
0.0000 |
0.0000 |
0.0396 |
Atom - Atom Distances (Å)
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H1 |
Br2 |
H1 |
| 1.4247 |
Br2 |
1.4247 |
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Maximum atom distance is 1.4247Å
between atoms H1 and Br2.
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.