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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 AlF (Aluminum monofluoride)
1Σ+ C*V
1910171554
InChI=1S/Al.FH/h;1H/q+1;/p-1 INChIKey=APURLPHDHPNUFL-UHFFFAOYSA-M
B3PW91/aug-cc-pVDZ
Point group is C∞v
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
Al1 |
0.0000 |
0.0000 |
0.6955 |
F2 |
0.0000 |
0.0000 |
-1.0045 |
Atom - Atom Distances (Å)
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Al1 |
F2 |
Al1 |
| 1.7000 |
F2 |
1.7000 |
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Maximum atom distance is 1.7000Å
between atoms Al1 and F2.
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.