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 |
MP2/6-31G*
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
2.20 | 2.40 | 2.60 | 2.80 | 3.00 | 3.20 | 3.40 | 3.60 | 3.80 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.512 | 0.404 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | KOH | Potassium hydroxide | 2.225 |
Highest value | KO+ | Potassium monoxide cation | 3.493 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
KO | Potassium monoxide | 2.359 | 1 | 2 |
KO+ | Potassium monoxide cation | 3.493 | 1 | 2 |
KOH | Potassium hydroxide | 2.225 | 1 | 2 |
K2O2 | dipotassium dioxide | 2.377 | 1 | 3 |
2.377 | 1 | 4 | ||
2.377 | 2 | 3 | ||
2.377 | 2 | 4 |