Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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ROMP2/aug-cc-pVDZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
2.20 | 2.25 | 2.30 | 2.35 | 2.40 | 2.45 | 2.50 | 2.55 | 2.60 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.380 | 0.170 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | LiS | Lithium monosulfide | 2.211 |
Highest value | LiS+ | Lithium sulfide cation | 2.550 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
LiS | Lithium monosulfide | 2.211 | 1 | 2 |
LiS+ | Lithium sulfide cation | 2.550 | 1 | 2 |