Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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ROHF/6-31G**
5 | ||||||||||
4 | ||||||||||
3 | ||||||||||
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2.89 | 2.90 | 2.91 | ||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.898 | 0.000 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Li3 | Lithium trimer | 2.898 |
Highest value | Li3 | Lithium trimer | 2.898 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
Li3 | Lithium trimer | 2.898 | 1 | 2 |
2.898 | 1 | 3 |