Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP2=FULL/6-31+G**
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1.58 | 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | 1.72 | 1.74 | 1.76 | 1.78 | 1.80 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.696 | 0.074 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | LiOH | lithium hydroxide | 1.597 |
Highest value | Li2O+ | dilithium oxide cation | 1.777 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
LiO- | lithium oxide anion | 1.684 | 1 | 2 |
LiO | lithium oxide | 1.611 | 1 | 2 |
LiOH | lithium hydroxide | 1.597 | 1 | 2 |
Li2O | dilithium oxide | 1.635 | 1 | 2 |
1.635 | 1 | 3 | ||
Li2O+ | dilithium oxide cation | 1.777 | 1 | 2 |
1.777 | 1 | 3 | ||
LiO2 | Lithium dioxide | 1.773 | 1 | 2 |
1.773 | 1 | 3 |