Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B97D3/6-311+G(3df,2p)
5 | ||||||||||||||||||||||||||||||||||
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1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
2.00 | 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 |
---|---|
2.214 | 0.168 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | LiCl | lithium chloride | 2.047 |
Highest value | LiCl+ | lithium chloride cation | 2.443 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
LiCl- | lithium chloride anion | 2.150 | 1 | 2 |
LiCl | lithium chloride | 2.047 | 1 | 2 |
LiCl+ | lithium chloride cation | 2.443 | 1 | 2 |