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/3-21G
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2.13 | 2.14 | 2.14 | 2.14 | 2.14 | 2.14 | 2.14 | 2.14 | 2.14 | 2.14 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.140 | 0.003 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AlF2Cl | Aluminum chloride difluoride | 2.135 |
Highest value | AlCl3 | Aluminum trichloride | 2.143 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AlCl | Aluminum monochloride | 2.139 | 1 | 2 |
AlCl3 | Aluminum trichloride | 2.143 | 1 | 2 |
2.143 | 1 | 3 | ||
2.143 | 1 | 4 | ||
AlFCl2 | Aluminum dichloride fluoride | 2.140 | 1 | 3 |
2.140 | 1 | 4 | ||
AlF2Cl | Aluminum chloride difluoride | 2.135 | 1 | 2 |