|
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 AsF (Arsenic monofluoride)
3Σ C*V
1910171554
InChI=1S/AsF/c1-2 INChIKey=VUFLKUMKDWHEMK-UHFFFAOYSA-N
G3B3
This model chemistry uses a geometry from
B3LYP/6-31G*
Point group is C∞v
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
As1 |
0.0000 |
0.0000 |
0.3756 |
F2 |
0.0000 |
0.0000 |
-1.3771 |
Atom - Atom Distances (Å)
|
As1 |
F2 |
As1 |
| 1.7526 |
F2 |
1.7526 |
|
Maximum atom distance is 1.7526Å
between atoms As1 and F2.
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.