Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CISD/6-31G**
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0 | |||||||||||||||||||||||||||||||
1.33 | 1.33 | 1.33 | 1.33 | 1.33 | 1.33 | 1.33 | 1.33 | 1.33 | 1.33 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.331 | 0.002 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | CH3CH2SH | ethanethiol | 1.329 |
Highest value | H2S2 | Disulfane | 1.332 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
H2S2 | Disulfane | 1.332 | 1 | 3 |
1.332 | 2 | 4 | ||
CH3CH2SH | ethanethiol | 1.329 | 3 | 9 |