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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 | |
HF/STO-3G
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| 1.50 | 2.00 | 2.50 | 3.00 | 3.50 | 4.00 | 4.50 | 5.00 | 5.50 | 6.00 | 6.50 | 7.00 | ||||||||||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.766 | 0.581 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SF+ | sulfur monofluoride cation | 1.614 |
| Highest value | SF5 | Sulfur pentafluoride | 6.019 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SF- | sulfur monofluoride anion | 1.690 | 1 | 2 |
| SF | Monosulfur monofluoride | 1.633 | 1 | 2 |
| SF+ | sulfur monofluoride cation | 1.614 | 1 | 2 |
| SF2- | sulfur difluoride anion | 1.681 | 1 | 2 |
| 2.303 | 1 | 3 | ||
| SF2 | sulfur difluoride | 1.641 | 1 | 2 |
| 1.641 | 1 | 3 | ||
| FSN | Thiazyl fluoride | 1.654 | 1 | 3 |
| SFCl | Sulfur chloride fluoride | 1.638 | 1 | 2 |
| F2SO | Thionyl Fluoride | 1.650 | 1 | 3 |
| 1.650 | 1 | 4 | ||
| FSSF | Difluorodisulfane | 1.650 | 1 | 3 |
| 1.650 | 2 | 4 | ||
| S2F2 | Thio-thionyl fluoride | 1.653 | 1 | 3 |
| 1.653 | 1 | 4 | ||
| SF3 | Sulfur trifluoride | 1.640 | 1 | 2 |
| 1.642 | 1 | 3 | ||
| 3.263 | 1 | 4 | ||
| SO2F2 | Sulfuryl fluoride | 1.645 | 1 | 4 |
| 1.645 | 1 | 5 | ||
| SF4 | Sulfur tetrafluoride | 1.675 | 1 | 2 |
| 1.675 | 1 | 3 | ||
| 1.675 | 1 | 4 | ||
| 1.675 | 1 | 5 | ||
| HSO3F | Fluorosulfonic acid | 1.646 | 3 | 4 |
| SF5 | Sulfur pentafluoride | 6.019 | 1 | 2 |
| 1.680 | 1 | 3 | ||
| 1.680 | 1 | 4 | ||
| 1.680 | 1 | 5 | ||
| 1.680 | 1 | 6 | ||
| SF5+ | pentafluoro sulfur cation | 1.656 | 1 | 2 |
| 1.661 | 1 | 3 | ||
| 1.661 | 1 | 4 | ||
| 1.661 | 1 | 5 | ||
| 1.656 | 1 | 6 | ||
| SOF4 | Sulfur tetrafluoride oxide | 1.671 | 1 | 3 |
| 1.671 | 1 | 4 | ||
| 1.671 | 1 | 5 | ||
| 1.671 | 1 | 6 | ||
| SF6 | Sulfur Hexafluoride | 1.652 | 1 | 2 |
| 1.652 | 1 | 3 | ||
| 1.652 | 1 | 4 | ||
| 1.652 | 1 | 5 | ||
| 1.652 | 1 | 6 | ||
| 1.652 | 1 | 7 | ||
| SF5Cl | sulfur chloropentafluoride | 1.660 | 1 | 3 |
| 1.660 | 1 | 4 | ||
| 1.660 | 1 | 5 | ||
| 1.660 | 1 | 6 | ||
| 1.652 | 1 | 7 | ||
| SF5CF3 | Sulfur, pentafluoro(trifluoromethyl)- | 1.663 | 1 | 8 |
| 1.663 | 1 | 9 | ||
| 1.660 | 1 | 10 | ||
| S2F10 | disulphur decafluoride | 1.676 | 1 | 3 |
| 1.676 | 1 | 4 | ||
| 1.676 | 1 | 5 | ||
| 1.676 | 1 | 6 | ||
| 1.666 | 1 | 7 | ||
| 1.676 | 2 | 8 | ||
| 1.676 | 2 | 9 | ||
| 1.676 | 2 | 10 | ||
| 1.676 | 2 | 11 | ||
| 1.666 | 2 | 12 |