MOLPRO Basis Query, element=Ba, basis=ECP46MDF_GUESS, l=s
Basis Ba s ECP46MDF_GUESS
| Primitives | Contractions... |
|---|
| 114.075390 | 0.001868 | 0.000617 |
| 52.874016 | -0.008752 | -0.002882 |
| 25.187082 | 0.029840 | 0.009864 |
| 12.287174 | -0.086380 | -0.028824 |
| 5.950803 | 0.218766 | 0.075288 |
| 2.807950 | -0.189665 | -0.076366 |
| 1.303956 | -0.698380 | -0.230491 |
| 0.565336 | 0.852021 | 0.324737 |
| 0.251764 | 0.618236 | 0.441852 |
| 0.104792 | 0.076002 | 0.052425 |
| 0.045562 | -0.019946 | -0.735982 |
| 0.020317 | 0.009175 | -0.468966 |
| 0.008330 | -0.002364 | -0.022599 |
Comment: ECP46MDF_GUESS: Startorbitale fuer ECP46MDF mit Basis ECP46MDF