MOLPRO Basis Query, element=Pa, basis=ECP60MWB_GUESS, l=s
Basis Pa s ECP60MWB_GUESS
| Primitives | Contractions... |
|---|
| 12047.376000 | 0.000345 | -0.000562 | 0.000299 |
| 1811.684100 | 0.002742 | -0.004541 | 0.002419 |
| 347.701040 | 0.010053 | -0.016083 | 0.008559 |
| 98.678010 | -0.002084 | -0.008221 | 0.004758 |
| 57.507376 | 0.051528 | -0.017346 | 0.006494 |
| 33.502601 | -0.236924 | 0.096140 | -0.035482 |
| 19.554451 | 0.719048 | -0.356877 | 0.136780 |
| 9.716421 | -1.266092 | 0.737338 | -0.289632 |
| 2.692096 | 1.053190 | -1.005685 | 0.420549 |
| 1.453847 | 0.430426 | -0.397532 | 0.191156 |
| 0.574352 | 0.020781 | 0.907908 | -0.557678 |
| 0.263468 | -0.001739 | 0.494794 | -0.397519 |
| 0.056557 | 0.000231 | 0.070143 | 0.785180 |
| 0.023169 | -0.000270 | 0.028533 | 0.431403 |
Comment: ECP60MWB_GUESS: Startorbitale fuer ECP60MWB mit Basis ECP60MWB_ANO