Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B2PLYP=FULL/6-31G(2df,p)
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1.40 | 1.45 | 1.50 | 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.493 | 0.077 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SOF4 | Sulfur tetrafluoride oxide | 1.419 |
Highest value | HOSH | hydrogen thioperoxide | 1.671 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SO | Sulfur monoxide | 1.499 | 1 | 2 |
SO+ | sulfur monoxide cation | 1.438 | 1 | 2 |
HSO+ | Sulfur Monoxide, S-protonated | 1.451 | 1 | 2 |
SOH+ | Sulfur Monoxide, protonated | 1.543 | 1 | 2 |
HOSH | hydrogen thioperoxide | 1.671 | 1 | 2 |
SO2 | Sulfur dioxide | 1.447 | 1 | 2 |
1.447 | 1 | 3 | ||
SSO | Disulfur monoxide | 1.472 | 1 | 2 |
NSO | sulfinyl amidogen | 1.463 | 1 | 3 |
ClSO | Sulfur chloride oxide | 1.471 | 2 | 3 |
SO2H+ | protonated sulfur dioxide | 1.539 | 1 | 2 |
1.424 | 1 | 3 | ||
SO3 | Sulfur trioxide | 1.433 | 1 | 2 |
1.433 | 1 | 3 | ||
1.433 | 1 | 4 | ||
H2SO3 | Sulfurous acid | 1.459 | 1 | 2 |
1.630 | 1 | 3 | ||
1.630 | 1 | 4 | ||
CH3SOCH3 | Dimethyl sulfoxide | 1.490 | 1 | 2 |
HSO4- | bisulfate anion | 1.671 | 1 | 2 |
1.451 | 1 | 3 | ||
1.459 | 1 | 4 | ||
1.459 | 1 | 5 | ||
C2H6O2S | Dimethyl sulfone | 1.446 | 1 | 2 |
1.446 | 1 | 3 | ||
MgSO4 | Magnesium Sulfate | 1.603 | 2 | 3 |
1.603 | 2 | 4 | ||
1.436 | 2 | 5 | ||
1.436 | 2 | 6 | ||
SOF4 | Sulfur tetrafluoride oxide | 1.419 | 1 | 2 |