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 |
MP2/cc-pVTZ
30 | |||||||||||||||||||||||||||||||
25 | |||||||||||||||||||||||||||||||
20 | |||||||||||||||||||||||||||||||
15 | |||||||||||||||||||||||||||||||
10 | |||||||||||||||||||||||||||||||
5 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.30 | 1.35 | 1.40 | 1.45 | 1.50 | 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.495 | 0.072 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SO+ | sulfur monoxide cation | 1.350 |
Highest value | HSO4- | bisulfate anion | 1.676 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SO- | sulfur monoxide anion | 1.554 | 1 | 2 |
SO | Sulfur monoxide | 1.501 | 1 | 2 |
SO+ | sulfur monoxide cation | 1.350 | 1 | 2 |
HSO+ | Sulfur Monoxide, S-protonated | 1.464 | 1 | 2 |
SOH+ | Sulfur Monoxide, protonated | 1.544 | 1 | 2 |
HOSH | hydrogen thioperoxide | 1.676 | 1 | 2 |
SO2- | Sulfur dioxide anion | 1.525 | 1 | 2 |
1.525 | 1 | 3 | ||
SO2 | Sulfur dioxide | 1.460 | 1 | 2 |
1.460 | 1 | 3 | ||
SO2+ | Sulfur dioxide cation | 1.443 | 1 | 2 |
1.443 | 1 | 3 | ||
SSO | Disulfur monoxide | 1.483 | 1 | 2 |
NSO | sulfinyl amidogen | 1.451 | 1 | 3 |
ClSO | Sulfur chloride oxide | 1.454 | 2 | 3 |
SO2H+ | protonated sulfur dioxide | 1.542 | 1 | 2 |
1.436 | 1 | 3 | ||
SO3- | Sulfur trioxide anion | 1.489 | 1 | 2 |
1.489 | 1 | 3 | ||
1.489 | 1 | 4 | ||
SO3 | Sulfur trioxide | 1.442 | 1 | 2 |
1.442 | 1 | 3 | ||
1.442 | 1 | 4 | ||
SO3+ | Sulfur trioxide cation | 1.452 | 1 | 2 |
1.452 | 1 | 3 | ||
1.452 | 1 | 4 | ||
F2SO | Thionyl Fluoride | 1.433 | 1 | 2 |
SOCl2 | thionyl chloride | 1.449 | 1 | 2 |
HSO3 | Hydroxysulfonyl radical | 1.627 | 1 | 2 |
1.456 | 1 | 3 | ||
1.447 | 1 | 4 | ||
H2SO3 | Sulfurous acid | 1.464 | 1 | 2 |
1.633 | 1 | 3 | ||
1.633 | 1 | 4 | ||
CH3SOCH3 | Dimethyl sulfoxide | 1.498 | 1 | 2 |
SO4-- | sulfate | 1.505 | 1 | 2 |
1.505 | 1 | 3 | ||
1.505 | 1 | 4 | ||
1.505 | 1 | 5 | ||
SO2F2 | Sulfuryl fluoride | 1.419 | 1 | 2 |
1.419 | 1 | 3 | ||
HSO4- | bisulfate anion | 1.676 | 1 | 2 |
1.457 | 1 | 3 | ||
1.465 | 1 | 4 | ||
1.465 | 1 | 5 | ||
H2SO4 | Sulfuric acid | 1.431 | 1 | 2 |
1.431 | 1 | 3 | ||
1.598 | 1 | 4 | ||
1.598 | 1 | 5 | ||
CH3SO2NH2 | methanesulfonamide | 1.448 | 2 | 4 |
1.448 | 2 | 5 | ||
MgSO4 | Magnesium Sulfate | 1.602 | 2 | 3 |
1.602 | 2 | 4 | ||
1.443 | 2 | 5 | ||
1.443 | 2 | 6 | ||
SOF4 | Sulfur tetrafluoride oxide | 1.423 | 1 | 2 |
C2H6O3S | Sulfurous acid, dimethyl ester | 1.457 | 1 | 2 |
1.640 | 1 | 3 | ||
1.599 | 1 | 4 | ||
C4H6OS | Vinyl sulfoxide | 1.496 | 1 | 2 |