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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 | |
MP2=FULL/cc-pV(D+d)Z
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| 1.40 | 1.45 | 1.50 | 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | ||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.608 | 0.086 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | FSN | Thiazyl fluoride | 1.442 |
| Highest value | S2N2 | Disulfur dinitride | 1.684 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| NS | Mononitrogen monosulfide | 1.527 | 1 | 2 |
| SNO | Nitrogen oxide sulfide | 1.583 | 1 | 2 |
| FNS | Thionitrosyl fluoride | 1.573 | 1 | 2 |
| FSN | Thiazyl fluoride | 1.442 | 1 | 2 |
| S2N2 | Disulfur dinitride | 1.684 | 1 | 3 |
| 1.684 | 1 | 4 | ||
| 1.684 | 2 | 3 | ||
| 1.684 | 2 | 4 |