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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
| You are here: Calculated > Geometry > Calculated geometry > One type of bond | |
ROMP2/6-31G
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| 2.14 | 2.15 | 2.16 | 2.17 | 2.18 | 2.19 | 2.20 | 2.21 | 2.22 | 2.23 | 2.24 | 2.25 | 2.26 | ||||||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 2.183 | 0.036 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | S2 | Sulfur diatomic | 2.148 |
| Highest value | H2S2+ | hydrogen disulfide cation | 2.248 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| S2 | Sulfur diatomic | 2.148 | 1 | 2 |
| HS2 | Thiosulfeno radical | 2.196 | 1 | 2 |
| H2S2+ | hydrogen disulfide cation | 2.248 | 1 | 2 |
| S3- | Sulfur trimer anion | 2.161 | 1 | 2 |
| 2.161 | 1 | 3 |