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 |
CID/6-31G
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.66 | 1.67 | 1.67 | 1.68 | 1.68 | 1.69 | 1.69 | 1.70 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.687 | 0.009 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AlO+ | aluminum monoxide cation | 1.670 |
Highest value | H3AlO3 | Aluminum hydroxide | 1.694 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AlO- | Aluminum monoxide anion | 1.685 | 1 | 2 |
AlO+ | aluminum monoxide cation | 1.670 | 1 | 2 |
H3AlO3 | Aluminum hydroxide | 1.694 | 1 | 2 |
1.694 | 1 | 3 | ||
1.694 | 1 | 4 |