MOLPRO Basis Query, element=Fe, basis=V5Z, l=p
Basis Fe p V5Z
| Primitives | Contractions... |
|---|
| 86947.300000 | 0.000002 | -0.000001 | 0.000000 | 0.000000 | 0.000001 | 0.000001 | 0.000001 | 0.000000 |
| 21254.000000 | 0.000022 | -0.000008 | 0.000002 | 0.000003 | 0.000005 | 0.000008 | 0.000010 | 0.000000 |
| 6741.140000 | 0.000137 | -0.000048 | 0.000011 | 0.000016 | 0.000035 | 0.000039 | 0.000057 | 0.000000 |
| 2557.160000 | 0.000633 | -0.000223 | 0.000049 | 0.000072 | 0.000148 | 0.000224 | 0.000298 | 0.000000 |
| 1093.510000 | 0.002428 | -0.000858 | 0.000190 | 0.000285 | 0.000630 | 0.000693 | 0.001024 | 0.000000 |
| 506.161000 | 0.008088 | -0.002874 | 0.000629 | 0.000931 | 0.001913 | 0.002880 | 0.003848 | 0.000000 |
| 247.139000 | 0.023801 | -0.008549 | 0.001896 | 0.002837 | 0.006282 | 0.006944 | 0.010319 | 0.000000 |
| 125.415000 | 0.061490 | -0.022528 | 0.004940 | 0.007309 | 0.015025 | 0.022747 | 0.030711 | 0.000000 |
| 65.651200 | 0.133896 | -0.050612 | 0.011284 | 0.016890 | 0.037670 | 0.040625 | 0.061799 | 0.000000 |
| 35.307900 | 0.231590 | -0.090853 | 0.019975 | 0.029488 | 0.059521 | 0.096658 | 0.130002 | 0.000000 |
| 19.426000 | 0.305164 | -0.126167 | 0.028652 | 0.043315 | 0.102302 | 0.092204 | 0.152101 | 0.000000 |
| 10.843800 | 0.270961 | -0.108783 | 0.023447 | 0.034262 | 0.066716 | 0.213297 | 0.380274 | 0.000000 |
| 6.043590 | 0.129085 | 0.038014 | -0.010157 | -0.012642 | -0.004698 | -0.206054 | -0.812497 | 0.000000 |
| 3.302450 | 0.023432 | 0.268601 | -0.073781 | -0.115380 | -0.394254 | -0.697040 | -1.533676 | 0.000000 |
| 1.763890 | -0.000912 | 0.401118 | -0.106033 | -0.159799 | -0.410248 | -0.586179 | 2.745308 | 0.000000 |
| 0.921386 | -0.001880 | 0.320159 | -0.107214 | -0.162466 | -0.010141 | 2.095397 | -0.193522 | 0.000000 |
| 0.460373 | -0.000774 | 0.117828 | 0.038887 | 0.115749 | 1.189173 | -0.620604 | -2.151771 | 0.000000 |
| 0.183613 | -0.000050 | 0.010321 | 0.356002 | 0.633408 | -0.047688 | -1.276103 | 2.200539 | 0.000000 |
| 0.075857 | -0.000002 | -0.000207 | 0.525619 | 0.384822 | -0.740623 | 1.094944 | -1.019177 | 0.000000 |
| 0.031147 | -0.000001 | 0.000210 | 0.228899 | 0.013843 | -0.013427 | 0.030999 | -0.092503 | 1.000000 |
Comment: N.B. Balabanov and K.A. Peterson, J. Chem. Phys. 123, 064107 (2005)