Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Geometry > Calculated geometry > One type of bond |
MP3=FULL/6-31G(2df,p)
8 | |||||||||||||||||||||||||
7 | |||||||||||||||||||||||||
6 | |||||||||||||||||||||||||
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
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 |
---|---|
1.459 | 0.070 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SO2H+ | protonated sulfur dioxide | 1.402 |
Highest value | HOSH | hydrogen thioperoxide | 1.661 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SO+ | sulfur monoxide cation | 1.413 | 1 | 2 |
HSO+ | Sulfur Monoxide, S-protonated | 1.435 | 1 | 2 |
SOH+ | Sulfur Monoxide, protonated | 1.528 | 1 | 2 |
HOSH | hydrogen thioperoxide | 1.661 | 1 | 2 |
NSO | sulfinyl amidogen | 1.429 | 1 | 3 |
ClSO | Sulfur chloride oxide | 1.450 | 2 | 3 |
SO2H+ | protonated sulfur dioxide | 1.514 | 1 | 2 |
1.402 | 1 | 3 | ||
SO3 | Sulfur trioxide | 1.412 | 1 | 2 |
1.412 | 1 | 3 | ||
1.412 | 1 | 4 | ||
CH3SO2NH2 | methanesulfonamide | 1.426 | 2 | 4 |
1.426 | 2 | 5 | ||
C2H6O2S | Dimethyl sulfone | 1.431 | 1 | 2 |
1.431 | 1 | 3 | ||
MgSO4 | Magnesium Sulfate | 1.573 | 2 | 3 |
1.573 | 2 | 4 | ||
1.422 | 2 | 5 | ||
1.422 | 2 | 6 | ||
SOF4 | Sulfur tetrafluoride oxide | 1.405 | 1 | 2 |