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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 | |
MP4/cc-pV(T+d)Z
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| 1.50 | 1.52 | 1.54 | 1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | ||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.601 | 0.039 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SF+ | sulfur monofluoride cation | 1.516 |
| Highest value | FSN | Thiazyl fluoride | 1.672 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SF | Monosulfur monofluoride | 1.608 | 1 | 2 |
| SF+ | sulfur monofluoride cation | 1.516 | 1 | 2 |
| SF2 | sulfur difluoride | 1.601 | 1 | 2 |
| 1.601 | 1 | 3 | ||
| FSN | Thiazyl fluoride | 1.672 | 1 | 3 |
| F2SO | Thionyl Fluoride | 1.598 | 1 | 3 |
| 1.598 | 1 | 4 | ||
| FSSF | Difluorodisulfane | 1.640 | 1 | 3 |
| 1.640 | 2 | 4 | ||
| S2F2 | Thio-thionyl fluoride | 1.617 | 1 | 3 |
| 1.617 | 1 | 4 | ||
| SF3 | Sulfur trifluoride | 1.577 | 1 | 2 |
| 1.664 | 1 | 3 | ||
| 1.664 | 1 | 4 | ||
| SF4 | Sulfur tetrafluoride | 1.651 | 1 | 2 |
| 1.651 | 1 | 3 | ||
| 1.558 | 1 | 4 | ||
| 1.558 | 1 | 5 | ||
| SOF4 | Sulfur tetrafluoride oxide | 1.604 | 1 | 3 |
| 1.604 | 1 | 4 | ||
| 1.550 | 1 | 5 | ||
| 1.550 | 1 | 6 | ||
| SF5Cl | sulfur chloropentafluoride | 1.577 | 1 | 3 |
| 1.577 | 1 | 4 | ||
| 1.577 | 1 | 5 | ||
| 1.577 | 1 | 6 | ||
| 1.570 | 1 | 7 |