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/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 |
---|---|
1.507 | 0.079 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SO2H+ | protonated sulfur dioxide | 1.435 |
Highest value | HOSH | hydrogen thioperoxide | 1.705 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SO | Sulfur monoxide | 1.517 | 1 | 2 |
SO+ | sulfur monoxide cation | 1.442 | 1 | 2 |
HSO+ | Sulfur Monoxide, S-protonated | 1.472 | 1 | 2 |
SOH+ | Sulfur Monoxide, protonated | 1.568 | 1 | 2 |
HOSH | hydrogen thioperoxide | 1.705 | 1 | 2 |
SO2 | Sulfur dioxide | 1.461 | 1 | 2 |
1.461 | 1 | 3 | ||
NSO | sulfinyl amidogen | 1.483 | 1 | 3 |
ClSO | Sulfur chloride oxide | 1.476 | 2 | 3 |
SO2H+ | protonated sulfur dioxide | 1.559 | 1 | 2 |
1.435 | 1 | 3 | ||
SO3 | Sulfur trioxide | 1.447 | 1 | 2 |
1.447 | 1 | 3 | ||
1.447 | 1 | 4 | ||
H2SO3 | Sulfurous acid | 1.479 | 1 | 2 |
1.658 | 1 | 3 | ||
1.658 | 1 | 4 | ||
CH3SO2NH2 | methanesulfonamide | 1.465 | 2 | 4 |
1.465 | 2 | 5 | ||
C2H6O2S | Dimethyl sulfone | 1.470 | 1 | 2 |
1.470 | 1 | 3 | ||
MgSO4 | Magnesium Sulfate | 1.626 | 2 | 3 |
1.626 | 2 | 4 | ||
1.457 | 2 | 5 | ||
1.457 | 2 | 6 | ||
SOF4 | Sulfur tetrafluoride oxide | 1.436 | 1 | 2 |