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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-pVTZ
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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 | 1.72 | ||||||||||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.588 | 0.036 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SF5+ | pentafluoro sulfur cation | 1.513 |
| Highest value | FSN | Thiazyl fluoride | 1.684 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SF- | sulfur monofluoride anion | 1.671 | 1 | 2 |
| SF | Monosulfur monofluoride | 1.607 | 1 | 2 |
| SF+ | sulfur monofluoride cation | 1.522 | 1 | 2 |
| SF2 | sulfur difluoride | 1.600 | 1 | 2 |
| 1.600 | 1 | 3 | ||
| SF2+ | sulfur difluoride cation | 1.544 | 1 | 2 |
| 1.544 | 1 | 3 | ||
| FSN | Thiazyl fluoride | 1.684 | 1 | 3 |
| SFCl | Sulfur chloride fluoride | 1.622 | 1 | 2 |
| FSSF | Difluorodisulfane | 1.632 | 1 | 3 |
| 1.632 | 2 | 4 | ||
| S2F2 | Thio-thionyl fluoride | 1.604 | 1 | 3 |
| 1.604 | 1 | 4 | ||
| SO2F2 | Sulfuryl fluoride | 1.548 | 1 | 4 |
| 1.548 | 1 | 5 | ||
| SF4 | Sulfur tetrafluoride | 1.655 | 1 | 2 |
| 1.655 | 1 | 3 | ||
| 1.562 | 1 | 4 | ||
| 1.562 | 1 | 5 | ||
| HSO3F | Fluorosulfonic acid | 1.588 | 3 | 4 |
| SF5+ | pentafluoro sulfur cation | 1.546 | 1 | 2 |
| 1.513 | 1 | 3 | ||
| 1.513 | 1 | 4 | ||
| 1.513 | 1 | 5 | ||
| 1.546 | 1 | 6 | ||
| SOF4 | Sulfur tetrafluoride oxide | 1.616 | 1 | 3 |
| 1.616 | 1 | 4 | ||
| 1.565 | 1 | 5 | ||
| 1.565 | 1 | 6 | ||
| SF6 | Sulfur Hexafluoride | 1.585 | 1 | 2 |
| 1.585 | 1 | 3 | ||
| 1.585 | 1 | 4 | ||
| 1.585 | 1 | 5 | ||
| 1.585 | 1 | 6 | ||
| 1.585 | 1 | 7 | ||
| SF5Cl | sulfur chloropentafluoride | 1.590 | 1 | 3 |
| 1.590 | 1 | 4 | ||
| 1.590 | 1 | 5 | ||
| 1.590 | 1 | 6 | ||
| 1.583 | 1 | 7 | ||
| SF5CF3 | Sulfur, pentafluoro(trifluoromethyl)- | 1.613 | 1 | 8 |
| 1.609 | 1 | 9 | ||
| 1.591 | 1 | 10 | ||
| S2F10 | disulphur decafluoride | 1.596 | 1 | 3 |
| 1.596 | 1 | 4 | ||
| 1.596 | 1 | 5 | ||
| 1.596 | 1 | 6 | ||
| 1.576 | 1 | 7 | ||
| 1.596 | 2 | 8 | ||
| 1.596 | 2 | 9 | ||
| 1.596 | 2 | 10 | ||
| 1.596 | 2 | 11 | ||
| 1.576 | 2 | 12 |