Table 5. Isolated-molecule theoretical bond lengths obtained with GAUSSIAN09 B3LYP functional (Å).
| Basis set | GS | ES | Δ |
|---|---|---|---|
| LANL2DZ | 3.670 | 3.031 | 0.639 |
| 6-31G* | 3.620 | 3.138 | 0.482 |
| 6-311G* | 3.667 | 3.115 | 0.552 |
| WTBS for Rh+ 6-311G* | 3.774 | 3.268 | 0.506 |
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