Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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PM3
16 | |||||||||||||||||||||||||
14 | |||||||||||||||||||||||||
12 | |||||||||||||||||||||||||
10 | |||||||||||||||||||||||||
8 | |||||||||||||||||||||||||
6 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.40 | 1.45 | 1.50 | 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.570 | 0.048 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SF+ | sulfur monofluoride cation | 1.430 |
Highest value | SF2- | sulfur difluoride anion | 1.676 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SF- | sulfur monofluoride anion | 1.608 | 1 | 2 |
SF | Monosulfur monofluoride | 1.527 | 1 | 2 |
SF+ | sulfur monofluoride cation | 1.430 | 1 | 2 |
SF2- | sulfur difluoride anion | 1.676 | 1 | 2 |
1.676 | 1 | 3 | ||
SF2 | sulfur difluoride | 1.560 | 1 | 2 |
1.560 | 1 | 3 | ||
SF2+ | sulfur difluoride cation | 1.473 | 1 | 2 |
1.473 | 1 | 3 | ||
FSSF | Difluorodisulfane | 1.584 | 1 | 3 |
1.584 | 2 | 4 | ||
SO2F2 | Sulfuryl fluoride | 1.548 | 1 | 4 |
1.548 | 1 | 5 | ||
SF4 | Sulfur tetrafluoride | 1.622 | 1 | 2 |
1.622 | 1 | 3 | ||
1.596 | 1 | 4 | ||
1.596 | 1 | 5 | ||
SF6 | Sulfur Hexafluoride | 1.561 | 1 | 2 |
1.561 | 1 | 3 | ||
1.561 | 1 | 4 | ||
1.561 | 1 | 5 | ||
1.561 | 1 | 6 | ||
1.561 | 1 | 7 | ||
S2F10 | disulphur decafluoride | 1.581 | 1 | 3 |
1.581 | 1 | 4 | ||
1.581 | 1 | 5 | ||
1.581 | 1 | 6 | ||
1.549 | 1 | 7 | ||
1.581 | 2 | 8 | ||
1.581 | 2 | 9 | ||
1.581 | 2 | 10 | ||
1.581 | 2 | 11 | ||
1.549 | 2 | 12 |