Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Geometry > Calculated geometry > One type of bond |
SVWN/6-31+G**
12 | |||||||||||||||||||||||||
10 | |||||||||||||||||||||||||
8 | |||||||||||||||||||||||||
6 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
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 |
---|---|
2.128 | 0.090 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AlCl+ | aluminum monochloride cation | 2.031 |
Highest value | AlCl- | aluminum monochloride anion | 2.289 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AlCl- | aluminum monochloride anion | 2.289 | 1 | 2 |
AlCl | Aluminum monochloride | 2.152 | 1 | 2 |
AlCl+ | aluminum monochloride cation | 2.031 | 1 | 2 |
AlCl3 | Aluminum trichloride | 2.068 | 1 | 2 |
2.068 | 1 | 3 | ||
2.068 | 1 | 4 | ||
AlFCl2 | Aluminum dichloride fluoride | 2.063 | 1 | 3 |
2.063 | 1 | 4 | ||
AlF2Cl | Aluminum chloride difluoride | 2.058 | 1 | 2 |
Al2Cl6 | Aluminum, di-μ-chlorotetrachlorodi- | 2.256 | 1 | 3 |
2.256 | 2 | 3 | ||
2.256 | 1 | 4 | ||
2.256 | 2 | 4 | ||
2.073 | 1 | 5 | ||
2.073 | 1 | 6 | ||
2.073 | 2 | 7 | ||
2.073 | 2 | 8 |