Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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AM1
6 | |||||||||||||||||||||||||
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.35 | 1.40 | 1.45 | 1.50 | 1.55 | 1.60 | 1.65 | 1.70 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.421 | 0.078 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SO3 | Sulfur trioxide | 1.350 |
Highest value | SOH+ | Sulfur Monoxide, protonated | 1.602 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SO | Sulfur monoxide | 1.455 | 1 | 2 |
HSO+ | Sulfur Monoxide, S-protonated | 1.398 | 1 | 2 |
SOH+ | Sulfur Monoxide, protonated | 1.602 | 1 | 2 |
SSO | Disulfur monoxide | 1.550 | 1 | 2 |
SO3 | Sulfur trioxide | 1.350 | 1 | 2 |
1.350 | 1 | 3 | ||
1.350 | 1 | 4 | ||
SO3+ | Sulfur trioxide cation | 1.374 | 1 | 2 |
1.374 | 1 | 3 | ||
1.374 | 1 | 4 | ||
CH3SOCH3 | Dimethyl sulfoxide | 1.491 | 1 | 2 |
C2H6O2S | Dimethyl sulfone | 1.400 | 1 | 2 |
1.400 | 1 | 3 |