Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HF/6-31G
10 | ||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
2.10 | 2.15 | 2.20 | 2.25 | 2.30 | 2.35 | 2.40 | 2.45 | 2.50 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.234 | 0.107 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AlF2Cl | Aluminum chloride difluoride | 2.150 |
Highest value | Al2Cl6 | Aluminum, di-μ-chlorotetrachlorodi- | 2.404 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AlCl | Aluminum monochloride | 2.293 | 1 | 2 |
AlCl3 | Aluminum trichloride | 2.164 | 1 | 2 |
2.164 | 1 | 3 | ||
2.164 | 1 | 4 | ||
AlFCl2 | Aluminum dichloride fluoride | 2.157 | 1 | 3 |
2.157 | 1 | 4 | ||
AlF2Cl | Aluminum chloride difluoride | 2.150 | 1 | 2 |
Al2Cl6 | Aluminum, di-μ-chlorotetrachlorodi- | 2.404 | 1 | 3 |
2.404 | 2 | 3 | ||
2.404 | 2 | 4 | ||
2.404 | 1 | 4 | ||
2.163 | 1 | 5 | ||
2.163 | 1 | 6 | ||
2.163 | 2 | 7 | ||
2.163 | 2 | 8 |