Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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ROMP2/daug-cc-pVTZ
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.46 | 1.47 | 1.48 | 1.49 | 1.50 | 1.51 | 1.52 | 1.53 | 1.54 | 1.55 | 1.56 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.494 | 0.033 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SO2 | Sulfur dioxide | 1.463 |
Highest value | SOH+ | Sulfur Monoxide, protonated | 1.544 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SO | Sulfur monoxide | 1.520 | 1 | 2 |
SOH+ | Sulfur Monoxide, protonated | 1.544 | 1 | 2 |
SO2 | Sulfur dioxide | 1.463 | 1 | 2 |
1.463 | 1 | 3 | ||
NSO | sulfinyl amidogen | 1.479 | 1 | 3 |