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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 | |
B3LYPultrafine/6-31+G**
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| 1.80 | 2.00 | 2.20 | 2.40 | 2.60 | 2.80 | 3.00 | 3.20 | 3.40 | 3.60 | ||||||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 2.119 | 0.291 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SSO | Disulfur monoxide | 1.923 |
| Highest value | S4 | Sulfur tetramer | 3.252 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| S2 | Sulfur diatomic | 1.928 | 1 | 2 |
| H2S2 | Disulfane | 2.102 | 1 | 2 |
| H2S2+ | hydrogen disulfide cation | 2.032 | 1 | 2 |
| S3 | Sulfur trimer | 1.952 | 1 | 2 |
| 1.952 | 1 | 3 | ||
| S3+ | Sulfur trimer cation | 1.961 | 1 | 2 |
| 1.961 | 1 | 3 | ||
| SSO | Disulfur monoxide | 1.923 | 2 | 3 |
| ClS2 | Sulfur chloride | 1.935 | 2 | 3 |
| HSSSH | trisulfane | 2.100 | 1 | 2 |
| 2.100 | 1 | 3 | ||
| CH3SSH | Hydrogen methyl disulfide | 2.093 | 2 | 3 |
| Si3H8 | trisilane | 2.356 | 1 | 2 |
| 2.356 | 1 | 3 | ||
| S4 | Sulfur tetramer | 2.198 | 1 | 2 |
| 1.936 | 1 | 3 | ||
| 1.936 | 2 | 4 | ||
| 3.252 | 3 | 4 | ||
| ClSSCl | Disulfur dichloride | 1.979 | 1 | 2 |
| CH3SSCH3 | Disulfide, dimethyl | 2.083 | 1 | 2 |
| S2F10 | disulphur decafluoride | 2.368 | 1 | 2 |