Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HF/TZVP
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.50 | 1.60 | 1.70 | 1.80 | 1.90 | 2.00 | 2.10 | 2.20 | 2.30 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.734 | 0.167 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | LiO- | lithium oxide anion | 1.560 |
Highest value | LiO+ | lithium oxide cation | 2.164 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
LiO- | lithium oxide anion | 1.560 | 1 | 2 |
LiO | lithium oxide | 1.709 | 1 | 2 |
LiO+ | lithium oxide cation | 2.164 | 1 | 2 |
LiOH | lithium hydroxide | 1.592 | 1 | 2 |
Li2O | dilithium oxide | 1.604 | 1 | 2 |
1.604 | 1 | 3 | ||
Li2O+ | dilithium oxide cation | 1.790 | 1 | 2 |
1.790 | 1 | 3 | ||
LiO2 | Lithium dioxide | 1.766 | 1 | 2 |
1.766 | 1 | 3 |