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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 | |
B2PLYP/cc-pV(D+d)Z
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| 1.65 | 1.65 | 1.66 | 1.66 | 1.67 | 1.67 | 1.68 | 1.68 | 1.69 | 1.69 | 1.70 | 1.70 | 1.71 | ||||||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.670 | 0.024 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | S2F2 | Thio-thionyl fluoride | 1.653 |
| Highest value | FSN | Thiazyl fluoride | 1.705 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| FSN | Thiazyl fluoride | 1.705 | 1 | 3 |
| S2F2 | Thio-thionyl fluoride | 1.653 | 1 | 3 |
| 1.653 | 1 | 4 |