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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 BrF (Bromine monofluoride)
1Σ C*V
1910171554
InChI=1S/BrF/c1-2 INChIKey=MZJUGRUTVANEDW-UHFFFAOYSA-N
M06-2X/6-31+G**
Point group is C∞v
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
Br1 |
0.0000 |
0.0000 |
0.3609 |
F2 |
0.0000 |
0.0000 |
-1.4036 |
Atom - Atom Distances (Å)
|
Br1 |
F2 |
Br1 |
| 1.7645 |
F2 |
1.7645 |
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Maximum atom distance is 1.7645Å
between atoms Br1 and F2.
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.