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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 | |
LSDA/cc-pVTZ
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| 1.80 | 1.85 | 1.90 | 1.95 | 2.00 | 2.05 | 2.10 | 2.15 | 2.20 | 2.25 | 2.30 | 2.35 | ||||||||||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.999 | 0.086 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | S2+ | sulfur diatomic cation | 1.831 |
| Highest value | S2F10 | disulphur decafluoride | 2.283 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| S2- | sulfur diatomic anion | 2.016 | 1 | 2 |
| S2 | Sulfur diatomic | 1.904 | 1 | 2 |
| S2+ | sulfur diatomic cation | 1.831 | 1 | 2 |
| HS2 | Thiosulfeno radical | 1.965 | 1 | 2 |
| H2S2 | Disulfane | 2.055 | 1 | 2 |
| H2S2+ | hydrogen disulfide cation | 2.000 | 1 | 2 |
| S3- | Sulfur trimer anion | 2.003 | 1 | 2 |
| 2.003 | 1 | 3 | ||
| S3 | Sulfur trimer | 1.925 | 1 | 2 |
| 1.925 | 1 | 3 | ||
| S3+ | Sulfur trimer cation | 1.934 | 1 | 2 |
| 1.934 | 1 | 3 | ||
| SSO | Disulfur monoxide | 1.904 | 2 | 3 |
| ClS2 | Sulfur chloride | 1.907 | 2 | 3 |
| HSSSH | trisulfane | 2.054 | 1 | 2 |
| 2.054 | 1 | 3 | ||
| FSSF | Difluorodisulfane | 1.893 | 1 | 2 |
| S2F2 | Thio-thionyl fluoride | 1.871 | 1 | 2 |
| ClSSCl | Disulfur dichloride | 1.933 | 1 | 2 |
| CH3SSCH3 | Disulfide, dimethyl | 2.032 | 1 | 2 |
| CH3SSSCH3 | dimethyl trisulfide | 2.049 | 1 | 2 |
| 2.049 | 1 | 3 | ||
| S8 | Octasulfur | 2.056 | 1 | 5 |
| 2.056 | 4 | 5 | ||
| 2.056 | 3 | 6 | ||
| 2.056 | 4 | 6 | ||
| 2.056 | 2 | 7 | ||
| 2.056 | 3 | 7 | ||
| 2.056 | 1 | 8 | ||
| 2.056 | 2 | 8 | ||
| S2F10 | disulphur decafluoride | 2.283 | 1 | 2 |