Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP4=FULL/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 |
---|---|
2.194 | 0.149 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Li2S | dilithium sulfide | 2.088 |
Highest value | LiS+ | Lithium sulfide cation | 2.448 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
LiS | Lithium monosulfide | 2.151 | 1 | 2 |
LiS+ | Lithium sulfide cation | 2.448 | 1 | 2 |
Li2S | dilithium sulfide | 2.088 | 1 | 2 |
2.088 | 1 | 3 |