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=FULL/6-311+G(3df,2p)
6 | ||||||||||||||||||||||||||||||||||||||||
5 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
1.42 | 1.44 | 1.46 | 1.48 | 1.50 | 1.52 | 1.54 | 1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.469 | 0.059 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SO3 | Sulfur trioxide | 1.427 |
Highest value | HOSH | hydrogen thioperoxide | 1.666 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SO | Sulfur monoxide | 1.486 | 1 | 2 |
SO+ | sulfur monoxide cation | 1.446 | 1 | 2 |
HSO+ | Sulfur Monoxide, S-protonated | 1.449 | 1 | 2 |
SOH+ | Sulfur Monoxide, protonated | 1.531 | 1 | 2 |
HOSH | hydrogen thioperoxide | 1.666 | 1 | 2 |
SO2 | Sulfur dioxide | 1.444 | 1 | 2 |
1.444 | 1 | 3 | ||
SSO | Disulfur monoxide | 1.468 | 1 | 2 |
NSO | sulfinyl amidogen | 1.462 | 1 | 3 |
SO3 | Sulfur trioxide | 1.427 | 1 | 2 |
1.427 | 1 | 3 | ||
1.427 | 1 | 4 | ||
CH3SOCH3 | Dimethyl sulfoxide | 1.487 | 1 | 2 |
C2H6O2S | Dimethyl sulfone | 1.439 | 1 | 2 |
1.439 | 1 | 3 |