Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP4=FULL/3-21G
12 | ||||||||||||||||||||||||||||
10 | ||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.50 | 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.639 | 0.074 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SOF4 | Sulfur tetrafluoride oxide | 1.546 |
Highest value | HOSH | hydrogen thioperoxide | 1.805 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SO | Sulfur monoxide | 1.629 | 1 | 2 |
HSO+ | Sulfur Monoxide, S-protonated | 1.648 | 1 | 2 |
SOH+ | Sulfur Monoxide, protonated | 1.648 | 1 | 2 |
HOSH | hydrogen thioperoxide | 1.805 | 1 | 2 |
SO2 | Sulfur dioxide | 1.638 | 1 | 2 |
1.638 | 1 | 3 | ||
NSO | sulfinyl amidogen | 1.624 | 1 | 3 |
ClSO | Sulfur chloride oxide | 1.628 | 2 | 3 |
SO2H+ | protonated sulfur dioxide | 1.652 | 1 | 2 |
1.607 | 1 | 3 | ||
SO3 | Sulfur trioxide | 1.608 | 1 | 2 |
1.608 | 1 | 3 | ||
1.608 | 1 | 4 | ||
F2SO | Thionyl Fluoride | 1.553 | 1 | 2 |
H2SO3 | Sulfurous acid | 1.582 | 1 | 2 |
1.782 | 1 | 3 | ||
1.782 | 1 | 4 | ||
HSO4- | bisulfate anion | 1.805 | 1 | 2 |
1.584 | 1 | 3 | ||
1.589 | 1 | 4 | ||
1.589 | 1 | 5 | ||
C2H6O2S | Dimethyl sulfone | 1.593 | 1 | 2 |
1.593 | 1 | 3 | ||
SOF4 | Sulfur tetrafluoride oxide | 1.546 | 1 | 2 |