Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B3LYP/CEP-31G
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 | 3.30 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.486 | 0.294 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | KOH | Potassium hydroxide | 2.253 |
Highest value | KO+ | Potassium monoxide cation | 3.189 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
KO | Potassium monoxide | 2.288 | 1 | 2 |
KO+ | Potassium monoxide cation | 3.189 | 1 | 2 |
KOH | Potassium hydroxide | 2.253 | 1 | 2 |
K2O2 | dipotassium dioxide | 2.419 | 1 | 3 |
2.419 | 2 | 3 | ||
2.419 | 1 | 4 | ||
2.419 | 2 | 4 |