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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 (Aluminum monoxide)
2Σ C*V
1910171554
InChI=1S/Al.O INChIKey=AIRCTMFFNKZQPN-UHFFFAOYSA-N
B3LYP/6-31G
Point group is C∞v
| Atom |
Internal |
| x (Å) |
y (Å) |
z (Å) |
| Al1 |
0.0000 |
0.0000 |
0.6468 |
| O2 |
0.0000 |
0.0000 |
-1.0510 |
Atom - Atom Distances (Å)
| |
Al1 |
O2 |
| Al1 |
| 1.6978 |
| O2 |
1.6978 |
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Maximum atom distance is 1.6978Å
between atoms Al1 and O2.
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.