Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B97D3/6-311G**
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
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1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
2.00 | 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 |
---|---|
2.466 | 0.415 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | KOH | Potassium hydroxide | 2.185 |
Highest value | KO+ | Potassium monoxide cation | 3.475 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
KO | Potassium monoxide | 2.261 | 1 | 2 |
KO+ | Potassium monoxide cation | 3.475 | 1 | 2 |
KOH | Potassium hydroxide | 2.185 | 1 | 2 |
K2O2 | dipotassium dioxide | 2.336 | 1 | 3 |
2.336 | 1 | 4 | ||
2.336 | 2 | 3 | ||
2.336 | 2 | 4 |