Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP3=FULL/6-31G(2df,p)
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.58 | 1.59 | 1.59 | 1.60 | 1.60 | 1.61 | 1.61 | 1.62 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.604 | 0.012 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | LiOH | lithium hydroxide | 1.586 |
Highest value | Li2O | dilithium oxide | 1.613 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
LiOH | lithium hydroxide | 1.586 | 1 | 2 |
Li2O | dilithium oxide | 1.613 | 1 | 2 |
1.613 | 1 | 3 |