MOLPRO Basis Query, element=Fe, basis=cc-pwCVTZ-DK, l=p
Basis Fe p cc-pwCVTZ-DK
| Primitives | Contractions... |
|---|
| 17745.690000 | 0.000123 | -0.000043 | 0.000009 | 0.000014 | 0.000030 | 0.000000 | 0.000000 | 0.000000 |
| 4200.721000 | 0.000566 | -0.000200 | 0.000044 | 0.000066 | 0.000134 | 0.000000 | 0.000000 | 0.000000 |
| 1364.429000 | 0.002608 | -0.000923 | 0.000201 | 0.000303 | 0.000659 | 0.000000 | 0.000000 | 0.000000 |
| 522.080600 | 0.010295 | -0.003668 | 0.000800 | 0.001219 | 0.002447 | 0.000000 | 0.000000 | 0.000000 |
| 221.459500 | 0.034751 | -0.012539 | 0.002738 | 0.004120 | 0.009014 | 0.000000 | 0.000000 | 0.000000 |
| 100.909600 | 0.096690 | -0.035848 | 0.007848 | 0.011953 | 0.023823 | 0.000000 | 0.000000 | 0.000000 |
| 48.401150 | 0.210030 | -0.080822 | 0.017739 | 0.026620 | 0.059364 | 0.000000 | 0.000000 | 0.000000 |
| 23.985360 | 0.332457 | -0.134697 | 0.029749 | 0.045699 | 0.087580 | 0.000000 | 0.000000 | 0.000000 |
| 12.182500 | 0.330771 | -0.136912 | 0.030389 | 0.045033 | 0.122286 | 0.000000 | 0.000000 | 0.000000 |
| 6.242298 | 0.154733 | 0.033713 | -0.010765 | -0.013011 | -0.068112 | 0.000000 | 0.000000 | 0.000000 |
| 3.110944 | 0.020964 | 0.335670 | -0.087689 | -0.141375 | -0.351907 | 0.000000 | 0.000000 | 0.000000 |
| 1.509958 | -0.002346 | 0.455496 | -0.128470 | -0.194148 | -0.623706 | 0.000000 | 0.000000 | 0.000000 |
| 0.710845 | -0.001854 | 0.281760 | -0.073996 | -0.101770 | 0.841448 | 0.000000 | 0.000000 | 0.000000 |
| 0.272598 | -0.000317 | 0.045150 | 0.215455 | 0.467864 | 0.792070 | 0.000000 | 0.000000 | 0.000000 |
| 0.103972 | 0.000030 | -0.003165 | 0.572005 | 0.624218 | -0.917510 | 0.000000 | 0.000000 | 0.000000 |
| 0.038166 | -0.000012 | 0.001331 | 0.368079 | 0.056225 | -0.122615 | 1.000000 | 0.000000 | 0.000000 |
| 6.878800 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 1.574800 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: N.B. Balabanov and K.A. Peterson, J. Chem. Phys. 123, 064107 (2005)