MOLPRO Basis Query, element=Fe, basis=aug-cc-pVQZ, l=p
Basis Fe p aug-cc-pVQZ
| Primitives | Contractions... |
|---|
| 38282.050000 | 0.000011 | -0.000004 | 0.000001 | 0.000001 | 0.000003 | -0.000003 | 0.000000 | 0.000000 |
| 9061.556000 | 0.000097 | -0.000034 | 0.000007 | 0.000011 | 0.000022 | -0.000033 | 0.000000 | 0.000000 |
| 2944.450000 | 0.000566 | -0.000199 | 0.000044 | 0.000066 | 0.000147 | -0.000178 | 0.000000 | 0.000000 |
| 1128.158000 | 0.002575 | -0.000911 | 0.000197 | 0.000295 | 0.000598 | -0.000880 | 0.000000 | 0.000000 |
| 480.338000 | 0.009676 | -0.003437 | 0.000751 | 0.001134 | 0.002527 | -0.003075 | 0.000000 | 0.000000 |
| 220.136800 | 0.030644 | -0.011042 | 0.002391 | 0.003585 | 0.007260 | -0.010714 | 0.000000 | 0.000000 |
| 106.548200 | 0.081553 | -0.030061 | 0.006595 | 0.009950 | 0.022300 | -0.026953 | 0.000000 | 0.000000 |
| 53.742620 | 0.175245 | -0.067049 | 0.014570 | 0.021810 | 0.043592 | -0.066279 | 0.000000 | 0.000000 |
| 27.863180 | 0.288465 | -0.115070 | 0.025529 | 0.038661 | 0.089824 | -0.101144 | 0.000000 | 0.000000 |
| 14.743820 | 0.330734 | -0.139917 | 0.030485 | 0.045628 | 0.086328 | -0.170467 | 0.000000 | 0.000000 |
| 7.893351 | 0.212770 | -0.049480 | 0.010853 | 0.017958 | 0.079700 | -0.083775 | 0.000000 | 0.000000 |
| 4.179497 | 0.056203 | 0.191709 | -0.052385 | -0.081593 | -0.294309 | 0.605649 | 0.000000 | 0.000000 |
| 2.165669 | 0.001807 | 0.403012 | -0.103271 | -0.158194 | -0.404643 | 0.957239 | 0.000000 | 0.000000 |
| 1.097240 | -0.001999 | 0.380717 | -0.121241 | -0.189071 | -0.324202 | -1.734836 | 0.000000 | 0.000000 |
| 0.536085 | -0.001155 | 0.169305 | 0.000840 | 0.044621 | 1.189837 | -0.097865 | 0.000000 | 0.000000 |
| 0.202374 | -0.000079 | 0.017872 | 0.327288 | 0.611692 | 0.228098 | 1.574813 | 0.000000 | 0.000000 |
| 0.081742 | -0.000003 | -0.001433 | 0.544226 | 0.446170 | -0.847434 | -1.081817 | 0.000000 | 0.000000 |
| 0.032662 | -0.000001 | 0.000599 | 0.258944 | 0.020309 | -0.022740 | -0.068208 | 1.000000 | 0.000000 |
| 0.013050 | 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)