| |
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/3-21G
| 30 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||
| 25 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||
| 20 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||
| 15 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||
| 10 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||
| 5 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||
| 0 | |
|
|
|
|
|
|
|
|
|
|
||||||||||||||
| 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | ||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.687 | 0.048 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SF+ | sulfur monofluoride cation | 1.611 |
| Highest value | SF2- | sulfur difluoride anion | 1.872 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SF- | sulfur monofluoride anion | 1.811 | 1 | 2 |
| SF | Monosulfur monofluoride | 1.684 | 1 | 2 |
| SF+ | sulfur monofluoride cation | 1.611 | 1 | 2 |
| SF2- | sulfur difluoride anion | 1.872 | 1 | 2 |
| 1.871 | 1 | 3 | ||
| SF2 | sulfur difluoride | 1.696 | 1 | 2 |
| 1.696 | 1 | 3 | ||
| FSN | Thiazyl fluoride | 1.788 | 1 | 3 |
| SFCl | Sulfur chloride fluoride | 1.704 | 1 | 2 |
| F2SO | Thionyl Fluoride | 1.710 | 1 | 3 |
| 1.710 | 1 | 4 | ||
| FSSF | Difluorodisulfane | 1.723 | 1 | 3 |
| 1.723 | 2 | 4 | ||
| S2F2 | Thio-thionyl fluoride | 1.712 | 1 | 3 |
| 1.712 | 1 | 4 | ||
| SF3 | Sulfur trifluoride | 1.672 | 1 | 2 |
| 1.709 | 1 | 3 | ||
| 1.709 | 1 | 4 | ||
| SO2F2 | Sulfuryl fluoride | 1.670 | 1 | 4 |
| 1.670 | 1 | 5 | ||
| SF4 | Sulfur tetrafluoride | 1.718 | 1 | 2 |
| 1.718 | 1 | 3 | ||
| 1.663 | 1 | 4 | ||
| 1.663 | 1 | 5 | ||
| SF5 | Sulfur pentafluoride | 1.636 | 1 | 2 |
| 1.693 | 1 | 3 | ||
| 1.693 | 1 | 4 | ||
| 1.693 | 1 | 5 | ||
| 1.693 | 1 | 6 | ||
| SF5+ | pentafluoro sulfur cation | 1.647 | 1 | 2 |
| 1.628 | 1 | 3 | ||
| 1.628 | 1 | 4 | ||
| 1.628 | 1 | 5 | ||
| 1.647 | 1 | 6 | ||
| SOF4 | Sulfur tetrafluoride oxide | 1.685 | 1 | 3 |
| 1.685 | 1 | 4 | ||
| 1.662 | 1 | 5 | ||
| 1.662 | 1 | 6 | ||
| SF6 | Sulfur Hexafluoride | 1.654 | 1 | 2 |
| 1.654 | 1 | 3 | ||
| 1.654 | 1 | 4 | ||
| 1.654 | 1 | 5 | ||
| 1.654 | 1 | 6 | ||
| 1.654 | 1 | 7 | ||
| SF5Cl | sulfur chloropentafluoride | 1.672 | 1 | 3 |
| 1.672 | 1 | 4 | ||
| 1.672 | 1 | 5 | ||
| 1.672 | 1 | 6 | ||
| 1.649 | 1 | 7 | ||
| SF5CF3 | Sulfur, pentafluoro(trifluoromethyl)- | 1.685 | 1 | 8 |
| 1.680 | 1 | 9 | ||
| 1.662 | 1 | 10 | ||
| S2F10 | disulphur decafluoride | 1.687 | 1 | 3 |
| 1.687 | 1 | 4 | ||
| 1.687 | 1 | 5 | ||
| 1.687 | 1 | 6 | ||
| 1.644 | 1 | 7 | ||
| 1.687 | 2 | 8 | ||
| 1.687 | 2 | 9 | ||
| 1.687 | 2 | 10 | ||
| 1.687 | 2 | 11 | ||
| 1.644 | 2 | 12 |