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 |
B3PW91/6-31+G**
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
2.20 | 2.30 | 2.40 | 2.50 | 2.60 | 2.70 | 2.80 | 2.90 | 3.00 | 3.10 | 3.20 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.450 | 0.259 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | KO | Potassium monoxide | 2.248 |
Highest value | KO+ | Potassium monoxide cation | 3.068 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
KO | Potassium monoxide | 2.248 | 1 | 2 |
KO+ | Potassium monoxide cation | 3.068 | 1 | 2 |
KOH | Potassium hydroxide | 2.266 | 1 | 2 |
K2O2 | dipotassium dioxide | 2.392 | 1 | 3 |
2.392 | 2 | 3 | ||
2.392 | 2 | 4 | ||
2.392 | 1 | 4 |