MOLPRO Basis Query, element=Lr, basis=ECP60MWB_GUESS, l=s
Basis Lr s ECP60MWB_GUESS
| Primitives | Contractions... |
|---|
| 21479.829000 | 0.000036 | -0.000022 | 0.000009 |
| 2867.239000 | 0.000270 | -0.000189 | 0.000076 |
| 589.593940 | 0.000987 | -0.000478 | 0.000173 |
| 155.192660 | -0.005842 | 0.000017 | 0.000292 |
| 90.386455 | 0.054344 | -0.015046 | 0.004542 |
| 53.168503 | -0.308713 | 0.133562 | -0.048886 |
| 31.275590 | 0.968619 | -0.502070 | 0.192010 |
| 16.486863 | -1.500078 | 0.891660 | -0.348613 |
| 4.424363 | 1.155981 | -1.143957 | 0.470164 |
| 2.277499 | 0.370513 | -0.291522 | 0.155678 |
| 0.972608 | 0.011952 | 0.894921 | -0.533279 |
| 0.436729 | -0.000738 | 0.496584 | -0.428476 |
| 0.095731 | 0.000080 | 0.075913 | 0.767457 |
| 0.036840 | -0.000024 | 0.034834 | 0.457917 |
Comment: ECP60MWB_GUESS: Startorbitale fuer ECP60MWB mit Basis ECP60MWB_ANO