Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HSEh1PBE/6-31+G**
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
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 |
---|---|
2.219 | 0.167 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | LiCl | lithium chloride | 2.053 |
Highest value | LiCl+ | lithium chloride cation | 2.448 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
LiCl- | lithium chloride anion | 2.157 | 1 | 2 |
LiCl | lithium chloride | 2.053 | 1 | 2 |
LiCl+ | lithium chloride cation | 2.448 | 1 | 2 |