Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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QCISD(T)/cc-pV(T+d)Z
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.40 | 1.42 | 1.44 | 1.46 | 1.48 | 1.50 | 1.52 | 1.54 | 1.56 | 1.58 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.451 | 0.033 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SOF4 | Sulfur tetrafluoride oxide | 1.414 |
Highest value | SOH+ | Sulfur Monoxide, protonated | 1.545 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SO | Sulfur monoxide | 1.492 | 1 | 2 |
HSO+ | Sulfur Monoxide, S-protonated | 1.452 | 1 | 2 |
SOH+ | Sulfur Monoxide, protonated | 1.545 | 1 | 2 |
SO2 | Sulfur dioxide | 1.442 | 1 | 2 |
1.442 | 1 | 3 | ||
NSO | sulfinyl amidogen | 1.462 | 1 | 3 |
ClSO | Sulfur chloride oxide | 1.470 | 2 | 3 |
SO3 | Sulfur trioxide | 1.428 | 1 | 2 |
1.428 | 1 | 3 | ||
1.428 | 1 | 4 | ||
F2SO | Thionyl Fluoride | 1.425 | 1 | 2 |
C2H6O2S | Dimethyl sulfone | 1.441 | 1 | 2 |
1.441 | 1 | 3 | ||
SOF4 | Sulfur tetrafluoride oxide | 1.414 | 1 | 2 |