Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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QCISD(T)=FULL/Def2TZVPP
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
2.22 | 2.24 | 2.26 | 2.28 | 2.30 | 2.32 | 2.34 | 2.36 | 2.38 | 2.40 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.350 | 0.057 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | KOH | Potassium hydroxide | 2.236 |
Highest value | K2O2 | dipotassium dioxide | 2.378 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
KOH | Potassium hydroxide | 2.236 | 1 | 2 |
K2O2 | dipotassium dioxide | 2.378 | 1 | 3 |
2.378 | 2 | 3 | ||
2.378 | 1 | 4 | ||
2.378 | 2 | 4 |