Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B97D3/6-311G**
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2.05 | 2.10 | 2.15 | 2.20 | 2.25 | 2.30 | 2.35 | 2.40 | 2.45 | 2.50 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.226 | 0.164 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | LiCl | lithium chloride | 2.050 |
Highest value | LiCl+ | lithium chloride cation | 2.445 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
LiCl- | lithium chloride anion | 2.182 | 1 | 2 |
LiCl | lithium chloride | 2.050 | 1 | 2 |
LiCl+ | lithium chloride cation | 2.445 | 1 | 2 |