Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CCSD=FULL/cc-pCVTZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.50 | 1.52 | 1.54 | 1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.582 | 0.044 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SF+ | sulfur monofluoride cation | 1.501 |
Highest value | SF4 | Sulfur tetrafluoride | 1.633 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SF | Monosulfur monofluoride | 1.594 | 1 | 2 |
SF+ | sulfur monofluoride cation | 1.501 | 1 | 2 |
SF2 | sulfur difluoride | 1.585 | 1 | 2 |
1.585 | 1 | 3 | ||
FSN | Thiazyl fluoride | 1.629 | 1 | 3 |
SF4 | Sulfur tetrafluoride | 1.633 | 1 | 2 |
1.633 | 1 | 3 | ||
1.541 | 1 | 4 | ||
1.541 | 1 | 5 |