Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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SVWN/cc-pVDZ
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 | 1.80 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.520 | 0.075 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SO2F2 | Sulfuryl fluoride | 1.449 |
Highest value | HSO4- | bisulfate anion | 1.715 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SO | Sulfur monoxide | 1.529 | 1 | 2 |
SO+ | sulfur monoxide cation | 1.460 | 1 | 2 |
HSO+ | Sulfur Monoxide, S-protonated | 1.475 | 1 | 2 |
SOH+ | Sulfur Monoxide, protonated | 1.564 | 1 | 2 |
HOSH | hydrogen thioperoxide | 1.688 | 1 | 2 |
SO2 | Sulfur dioxide | 1.485 | 1 | 2 |
1.485 | 1 | 3 | ||
SSO | Disulfur monoxide | 1.504 | 1 | 2 |
NSO | sulfinyl amidogen | 1.510 | 1 | 3 |
ClSO | Sulfur chloride oxide | 1.505 | 2 | 3 |
SO2H+ | protonated sulfur dioxide | 1.579 | 1 | 2 |
1.454 | 1 | 3 | ||
SO3 | Sulfur trioxide | 1.470 | 1 | 2 |
1.470 | 1 | 3 | ||
1.470 | 1 | 4 | ||
F2SO | Thionyl Fluoride | 1.461 | 1 | 2 |
H2SO3 | Sulfurous acid | 1.495 | 1 | 2 |
1.667 | 1 | 3 | ||
1.667 | 1 | 4 | ||
CH3SOCH3 | Dimethyl sulfoxide | 1.522 | 1 | 2 |
SO2F2 | Sulfuryl fluoride | 1.449 | 1 | 2 |
1.449 | 1 | 3 | ||
HSO4- | bisulfate anion | 1.715 | 1 | 2 |
1.488 | 1 | 3 | ||
1.497 | 1 | 4 | ||
1.497 | 1 | 5 | ||
CH3SO2NH2 | methanesulfonamide | 1.480 | 2 | 4 |
1.480 | 2 | 5 | ||
C2H6O2S | Dimethyl sulfone | 1.483 | 1 | 2 |
1.483 | 1 | 3 | ||
MgSO4 | Magnesium Sulfate | 1.653 | 2 | 3 |
1.653 | 2 | 4 | ||
1.471 | 2 | 5 | ||
1.471 | 2 | 6 | ||
SOF4 | Sulfur tetrafluoride oxide | 1.451 | 1 | 2 |
C4H10OS | Diethyl sulfoxide | 1.529 | 14 | 15 |