Absolute values of the intermolecular HOMO⋯HOMO interaction energies (|βHOMO–HOMO|, eV) for the (TMTXF)3Ta2F10O salts.
| Interaction (type) | (TMTSF)3Ta2F10O | (TMTTF)3Ta2F10O |
|---|---|---|
| I (A–B) | 0.7561 | 0.7368 |
| II (A–A) | 0.3458 | 0.0105 |
| III (A–A) | 0.0261 | 0.0360 |
| IV (B–B) | 0.0349 | 0.0295 |
| V (A–A) | 0.0696 | 0.1302 |
| VI (A–B) | 0.0118 | 0.0205 |