Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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wB97X-D/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 |
---|---|
2.896 | 0.607 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | KH | Potassium hydride | 2.289 |
Highest value | KH+ | Potassium hydrogen cation | 3.503 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
KH | Potassium hydride | 2.289 | 1 | 2 |
KH+ | Potassium hydrogen cation | 3.503 | 1 | 2 |