Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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LSDA/3-21G
12 | ||||||||||||||||||||||||||||||||||
10 | ||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | 1.72 | 1.74 | 1.76 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.638 | 0.051 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | S2F10 | disulphur decafluoride | 1.571 |
Highest value | SF- | sulfur monofluoride anion | 1.739 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SF- | sulfur monofluoride anion | 1.739 | 1 | 2 |
SF | Monosulfur monofluoride | 1.696 | 1 | 2 |
SF2 | sulfur difluoride | 1.696 | 1 | 2 |
1.696 | 1 | 3 | ||
FSSF | Difluorodisulfane | 1.654 | 1 | 3 |
1.654 | 2 | 4 | ||
S2F2 | Thio-thionyl fluoride | 1.626 | 1 | 3 |
1.626 | 1 | 4 | ||
SF4 | Sulfur tetrafluoride | 1.725 | 1 | 2 |
1.725 | 1 | 3 | ||
1.678 | 1 | 4 | ||
1.678 | 1 | 5 | ||
HSO3F | Fluorosulfonic acid | 1.685 | 3 | 4 |
SF6 | Sulfur Hexafluoride | 1.658 | 1 | 2 |
1.658 | 1 | 3 | ||
1.658 | 1 | 4 | ||
1.658 | 1 | 5 | ||
1.658 | 1 | 6 | ||
1.658 | 1 | 7 | ||
SF5CF3 | Sulfur, pentafluoro(trifluoromethyl)- | 1.591 | 1 | 8 |
1.587 | 1 | 9 | ||
1.575 | 1 | 10 | ||
S2F10 | disulphur decafluoride | 1.586 | 1 | 3 |
1.586 | 1 | 4 | ||
1.586 | 1 | 5 | ||
1.586 | 1 | 6 | ||
1.571 | 1 | 7 | ||
1.586 | 2 | 8 | ||
1.586 | 2 | 9 | ||
1.586 | 2 | 10 | ||
1.586 | 2 | 11 | ||
1.571 | 2 | 12 |