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 |
HF/6-311+G(3df,2p)
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.67 | 1.67 | 1.68 | 1.68 | 1.68 | 1.68 | 1.68 | 1.69 | 1.69 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.676 | 0.006 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | H3AlO3 | Aluminum hydroxide | 1.673 |
Highest value | AlO | Aluminum monoxide | 1.686 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AlO | Aluminum monoxide | 1.686 | 1 | 2 |
H3AlO3 | Aluminum hydroxide | 1.673 | 1 | 2 |
1.673 | 1 | 3 | ||
1.673 | 1 | 4 |