Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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PBEPBE/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 |
---|---|
2.456 | 0.242 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | KO | Potassium monoxide | 2.257 |
Highest value | KO+ | Potassium monoxide cation | 3.028 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
KO | Potassium monoxide | 2.257 | 1 | 2 |
KO+ | Potassium monoxide cation | 3.028 | 1 | 2 |
KOH | Potassium hydroxide | 2.274 | 1 | 2 |
K2O2 | dipotassium dioxide | 2.408 | 1 | 3 |
2.408 | 2 | 3 | ||
2.408 | 2 | 4 | ||
2.408 | 1 | 4 |