Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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LSDA/6-311+G(3df,2p)
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.56 | 1.57 | 1.57 | 1.58 | 1.58 | 1.59 | 1.59 | 1.60 | 1.60 | 1.61 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.591 | 0.015 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | LiOH | lithium hydroxide | 1.569 |
Highest value | Li2O | dilithium oxide | 1.601 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
LiOH | lithium hydroxide | 1.569 | 1 | 2 |
Li2O | dilithium oxide | 1.601 | 1 | 2 |
1.601 | 1 | 3 |