Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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LSDA/6-31G
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
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2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
2.12 | 2.14 | 2.16 | 2.18 | 2.20 | 2.22 | 2.24 | 2.26 | 2.28 | 2.30 | 2.32 | 2.34 | 2.36 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.213 | 0.096 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AlF2Cl | Aluminum chloride difluoride | 2.138 |
Highest value | Al2Cl6 | Aluminum, di-μ-chlorotetrachlorodi- | 2.366 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AlCl | Aluminum monochloride | 2.259 | 1 | 2 |
AlCl3 | Aluminum trichloride | 2.150 | 1 | 2 |
2.150 | 1 | 3 | ||
2.150 | 1 | 4 | ||
AlFCl2 | Aluminum dichloride fluoride | 2.144 | 1 | 3 |
2.144 | 1 | 4 | ||
AlF2Cl | Aluminum chloride difluoride | 2.138 | 1 | 2 |
Al2Cl6 | Aluminum, di-μ-chlorotetrachlorodi- | 2.366 | 1 | 3 |
2.366 | 2 | 3 | ||
2.366 | 1 | 4 | ||
2.366 | 2 | 4 | ||
2.148 | 1 | 5 | ||
2.148 | 1 | 6 | ||
2.148 | 2 | 7 | ||
2.148 | 2 | 8 |