MOLPRO Basis Query, element=Fe, basis=WCVQZ-DK, l=p
Basis Fe p WCVQZ-DK
| Primitives | Contractions... |
|---|
| 38282.050000 | 0.000051 | -0.000018 | 0.000004 | 0.000006 | 0.000013 | -0.000016 | 0.000000 | 0.000000 | 0.000000 |
| 9061.556000 | 0.000193 | -0.000068 | 0.000015 | 0.000023 | 0.000046 | -0.000065 | 0.000000 | 0.000000 | 0.000000 |
| 2944.450000 | 0.000807 | -0.000285 | 0.000062 | 0.000096 | 0.000206 | -0.000256 | 0.000000 | 0.000000 | 0.000000 |
| 1128.158000 | 0.003054 | -0.001082 | 0.000235 | 0.000358 | 0.000716 | -0.001040 | 0.000000 | 0.000000 | 0.000000 |
| 480.338000 | 0.010591 | -0.003773 | 0.000827 | 0.001270 | 0.002759 | -0.003370 | 0.000000 | 0.000000 | 0.000000 |
| 220.136800 | 0.032142 | -0.011611 | 0.002522 | 0.003842 | 0.007643 | -0.011241 | 0.000000 | 0.000000 | 0.000000 |
| 106.548200 | 0.083649 | -0.030903 | 0.006796 | 0.010441 | 0.022873 | -0.027582 | 0.000000 | 0.000000 | 0.000000 |
| 53.742620 | 0.177150 | -0.067861 | 0.014782 | 0.022479 | 0.044081 | -0.067021 | 0.000000 | 0.000000 | 0.000000 |
| 27.863180 | 0.289086 | -0.115349 | 0.025653 | 0.039599 | 0.089984 | -0.100694 | 0.000000 | 0.000000 | 0.000000 |
| 14.743820 | 0.329157 | -0.138914 | 0.030313 | 0.045983 | 0.085340 | -0.170311 | 0.000000 | 0.000000 | 0.000000 |
| 7.893351 | 0.210423 | -0.046625 | 0.010201 | 0.017579 | 0.077278 | -0.078323 | 0.000000 | 0.000000 | 0.000000 |
| 4.179497 | 0.055174 | 0.194670 | -0.053193 | -0.085028 | -0.297245 | 0.607745 | 0.000000 | 0.000000 | 0.000000 |
| 2.165669 | 0.001511 | 0.404010 | -0.103678 | -0.160909 | -0.406718 | 0.964576 | 0.000000 | 0.000000 | 0.000000 |
| 1.097240 | -0.002183 | 0.378678 | -0.120998 | -0.194528 | -0.312155 | -1.792773 | 0.000000 | 0.000000 | 0.000000 |
| 0.536085 | -0.001218 | 0.166596 | 0.003108 | 0.058205 | 1.205255 | -0.026289 | 0.000000 | 0.000000 | 0.000000 |
| 0.202453 | -0.000085 | 0.017534 | 0.328315 | 0.625981 | 0.189499 | 1.546099 | 0.000000 | 0.000000 | 0.000000 |
| 0.081695 | -0.000002 | -0.001355 | 0.542243 | 0.427146 | -0.842454 | -1.094969 | 0.000000 | 0.000000 | 0.000000 |
| 0.032614 | -0.000001 | 0.000578 | 0.259408 | 0.017388 | -0.016837 | -0.054819 | 1.000000 | 0.000000 | 0.000000 |
| 8.368700 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 2.260100 | 0.000000 | 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)