Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP4/cc-pVTZ
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
2.00 | 2.05 | 2.10 | 2.15 | 2.20 | 2.25 | 2.30 | 2.35 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.167 | 0.096 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AlCl+ | aluminum monochloride cation | 2.037 |
Highest value | Al2Cl6 | Aluminum, di-μ-chlorotetrachlorodi- | 2.281 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AlCl | Aluminum monochloride | 2.154 | 1 | 2 |
AlCl+ | aluminum monochloride cation | 2.037 | 1 | 2 |
Al2Cl6 | Aluminum, di-μ-chlorotetrachlorodi- | 2.281 | 1 | 3 |
2.281 | 2 | 3 | ||
2.281 | 1 | 4 | ||
2.281 | 2 | 4 | ||
2.090 | 1 | 5 | ||
2.090 | 1 | 6 | ||
2.090 | 2 | 7 | ||
2.090 | 2 | 8 |