| Description | File |
| Band structure of MgO in .f25 format | mgo_band.f25 |
| Band structure of MgO in .BAND format | mgo_band_dat.BAND |
| Density of states of MgO in .f25 format | mgo_doss.f25 |
| Density of states of MgO in .DOSS format | mgo_doss_dat.DOSS |
| Electron charge density map of Urea (with this file is possible to create the difference map from a single file) | urea_for_single_difference.f25 |
| Electron charge density map of Urea (load this file first to create the difference map from multiple files) | urea_for_multiple_difference.f25 |
| Electron charge density map of Urea (load this file per second to create the difference map from multiple files) | urea_molsplit.f25 |
| Infrared spectrum of mil53 (closed shell) | mil53_closed_b3-st_tzvp-tzp_fr_nd2_r.IRSPEC |
| Infrared spectrum of mil53 (open shell) | mil53_open_b3-st_tzvp-tzp_2_fr_nd2.IRSPEC |