Table 1. Relativistic Shifts in the Ground State Sulfur 1s Energy Calculated for the ωB97M-V Functional and the Decontracted aug-pc-3 Basis.
| molecule | correction (eV) |
|---|---|
| H2S | 7.275 |
| SO2 | 7.275 |
| OCS | 7.272 |
| CS | 7.272 |
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