| |
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 | |
MP3/aug-cc-pV(T+d)Z
| 5 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||
| 4 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||
| 3 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||
| 2 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||||
| 1 | |
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||||
| 0 | |
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||||
| 1.55 | 1.56 | 1.57 | 1.58 | 1.59 | 1.60 | 1.61 | 1.62 | 1.63 | ||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.580 | 0.020 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SF5Cl | sulfur chloropentafluoride | 1.556 |
| Highest value | FSSF | Difluorodisulfane | 1.619 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SF | Monosulfur monofluoride | 1.593 | 1 | 2 |
| SF2 | sulfur difluoride | 1.584 | 1 | 2 |
| 1.584 | 1 | 3 | ||
| F2SO | Thionyl Fluoride | 1.572 | 1 | 3 |
| 1.572 | 1 | 4 | ||
| FSSF | Difluorodisulfane | 1.619 | 1 | 3 |
| 1.619 | 2 | 4 | ||
| S2F2 | Thio-thionyl fluoride | 1.589 | 1 | 3 |
| 1.589 | 1 | 4 | ||
| SF5Cl | sulfur chloropentafluoride | 1.561 | 1 | 3 |
| 1.561 | 1 | 4 | ||
| 1.561 | 1 | 5 | ||
| 1.561 | 1 | 6 | ||
| 1.556 | 1 | 7 |