MOLPRO Basis Query, element=Fe, basis=AV5Z-DK, l=p
Basis Fe p AV5Z-DK
| Primitives | Contractions... |
|---|
| 86947.300000 | 0.000021 | -0.000007 | 0.000001 | 0.000002 | 0.000005 | 0.000007 | 0.000009 | 0.000000 | 0.000000 |
| 21254.000000 | 0.000065 | -0.000023 | 0.000005 | 0.000008 | 0.000016 | 0.000022 | 0.000029 | 0.000000 | 0.000000 |
| 6741.140000 | 0.000253 | -0.000089 | 0.000018 | 0.000030 | 0.000064 | 0.000075 | 0.000109 | 0.000000 | 0.000000 |
| 2557.160000 | 0.000863 | -0.000305 | 0.000062 | 0.000101 | 0.000205 | 0.000299 | 0.000397 | 0.000000 | 0.000000 |
| 1093.510000 | 0.002880 | -0.001021 | 0.000206 | 0.000345 | 0.000742 | 0.000836 | 0.001230 | 0.000000 | 0.000000 |
| 506.161000 | 0.008871 | -0.003160 | 0.000641 | 0.001044 | 0.002112 | 0.003150 | 0.004171 | 0.000000 | 0.000000 |
| 247.139000 | 0.025102 | -0.009040 | 0.001823 | 0.003062 | 0.006608 | 0.007347 | 0.010953 | 0.000000 | 0.000000 |
| 125.415000 | 0.063321 | -0.023253 | 0.004724 | 0.007685 | 0.015525 | 0.023477 | 0.031298 | 0.000000 | 0.000000 |
| 65.651200 | 0.135863 | -0.051437 | 0.010400 | 0.017532 | 0.038129 | 0.041087 | 0.062925 | 0.000000 | 0.000000 |
| 35.307900 | 0.232703 | -0.091339 | 0.018670 | 0.030161 | 0.059883 | 0.097552 | 0.128767 | 0.000000 | 0.000000 |
| 19.426000 | 0.304636 | -0.125884 | 0.025582 | 0.044227 | 0.101643 | 0.090842 | 0.153179 | 0.000000 | 0.000000 |
| 10.843800 | 0.268788 | -0.106950 | 0.022231 | 0.033946 | 0.065638 | 0.214504 | 0.371770 | 0.000000 | 0.000000 |
| 6.043590 | 0.127345 | 0.041019 | -0.011840 | -0.013525 | -0.008619 | -0.216313 | -0.811289 | 0.000000 | 0.000000 |
| 3.302450 | 0.022833 | 0.270882 | -0.063961 | -0.119488 | -0.394308 | -0.699859 | -1.554388 | 0.000000 | 0.000000 |
| 1.763890 | -0.001141 | 0.401245 | -0.102746 | -0.162165 | -0.413069 | -0.572470 | 2.844491 | 0.000000 | 0.000000 |
| 0.921386 | -0.002029 | 0.317630 | -0.087521 | -0.166529 | 0.008383 | 2.128303 | -0.333181 | 0.000000 | 0.000000 |
| 0.460373 | -0.000815 | 0.115722 | 0.019704 | 0.132357 | 1.195480 | -0.688384 | -2.070494 | 0.000000 | 0.000000 |
| 0.183772 | -0.000054 | 0.010165 | 0.318382 | 0.642415 | -0.085710 | -1.235466 | 2.197026 | 0.000000 | 0.000000 |
| 0.075833 | -0.000002 | -0.000170 | 0.541701 | 0.367033 | -0.731940 | 1.097960 | -1.047747 | 0.000000 | 0.000000 |
| 0.031099 | -0.000001 | 0.000200 | 0.256076 | 0.011632 | -0.009115 | 0.020990 | -0.075576 | 1.000000 | 0.000000 |
| 0.012750 | 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)