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 |
MP2/6-31+G**
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.58 | 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | 1.72 | 1.74 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.673 | 0.052 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AlO+ | aluminum monoxide cation | 1.585 |
Highest value | H3AlO3 | Aluminum hydroxide | 1.717 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AlO- | Aluminum monoxide anion | 1.684 | 1 | 2 |
AlO | Aluminum monoxide | 1.618 | 1 | 2 |
AlO+ | aluminum monoxide cation | 1.585 | 1 | 2 |
H3AlO3 | Aluminum hydroxide | 1.717 | 1 | 2 |
1.717 | 1 | 3 | ||
1.717 | 1 | 4 |