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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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You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry
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Geometry for (Aluminum monochloride)
1Σ C*V
1910171554
InChI=1S/Al.ClH/h;1H/q+1;/p-1 INChIKey=IZMHKHHRLNWLMK-UHFFFAOYSA-M
M06-2X/3-21G
Point group is C∞v
| Atom |
Internal |
| x (Å) |
y (Å) |
z (Å) |
| Al1 |
0.0000 |
0.0000 |
-1.2797 |
| Cl2 |
0.0000 |
0.0000 |
0.9786 |
Atom - Atom Distances (Å)
| |
Al1 |
Cl2 |
| Al1 |
| 2.2582 |
| Cl2 |
2.2582 |
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Maximum atom distance is 2.2582Å
between atoms Al1 and Cl2.
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.