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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 | |
MP3=FULL/3-21G*
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| 1.80 | 2.00 | 2.20 | 2.40 | 2.60 | 2.80 | 3.00 | 3.20 | 3.40 | ||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 2.139 | 0.330 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | S2 | Sulfur diatomic | 1.898 |
| Highest value | S4 | Sulfur tetramer | 3.166 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| S2 | Sulfur diatomic | 1.898 | 1 | 2 |
| H2S2 | Disulfane | 2.066 | 1 | 2 |
| H2S2+ | hydrogen disulfide cation | 1.999 | 1 | 2 |
| S3 | Sulfur trimer | 1.920 | 1 | 2 |
| 1.920 | 1 | 3 | ||
| CH3SSH | Hydrogen methyl disulfide | 2.059 | 2 | 3 |
| Si3H8 | trisilane | 2.321 | 1 | 2 |
| 2.321 | 1 | 3 | ||
| S4 | Sulfur tetramer | 2.159 | 1 | 2 |
| 1.908 | 1 | 3 | ||
| 1.908 | 2 | 4 | ||
| 3.166 | 3 | 4 | ||
| S2F10 | disulphur decafluoride | 2.163 | 1 | 2 |