MOLPRO Basis Query, element=Fe, basis=VQZ-DK, l=s
Basis Fe s VQZ-DK
| Primitives | Contractions... |
|---|
| 13277140.000000 | 0.000060 | -0.000031 | 0.000007 | -0.000002 | -0.000003 | -0.000005 | -0.000006 | 0.000000 |
| 1987888.000000 | 0.000170 | -0.000088 | 0.000021 | -0.000004 | -0.000009 | -0.000015 | -0.000017 | 0.000000 |
| 452387.100000 | 0.000450 | -0.000232 | 0.000054 | -0.000012 | -0.000024 | -0.000039 | -0.000045 | 0.000000 |
| 128143.700000 | 0.001093 | -0.000565 | 0.000132 | -0.000029 | -0.000059 | -0.000096 | -0.000107 | 0.000000 |
| 41809.170000 | 0.002613 | -0.001353 | 0.000316 | -0.000069 | -0.000137 | -0.000224 | -0.000272 | 0.000000 |
| 15095.330000 | 0.006260 | -0.003256 | 0.000764 | -0.000167 | -0.000344 | -0.000562 | -0.000594 | 0.000000 |
| 5888.438000 | 0.015195 | -0.007948 | 0.001869 | -0.000408 | -0.000794 | -0.001301 | -0.001690 | 0.000000 |
| 2442.876000 | 0.036577 | -0.019413 | 0.004621 | -0.001009 | -0.002130 | -0.003475 | -0.003383 | 0.000000 |
| 1065.857000 | 0.083375 | -0.045382 | 0.010961 | -0.002390 | -0.004544 | -0.007462 | -0.010502 | 0.000000 |
| 484.909600 | 0.167634 | -0.096799 | 0.024364 | -0.005329 | -0.011570 | -0.018870 | -0.016440 | 0.000000 |
| 228.458500 | 0.268860 | -0.173972 | 0.046596 | -0.010178 | -0.018481 | -0.030568 | -0.049622 | 0.000000 |
| 110.745300 | 0.285235 | -0.235094 | 0.071374 | -0.015720 | -0.036933 | -0.060289 | -0.036541 | 0.000000 |
| 54.431160 | 0.152532 | -0.151188 | 0.049890 | -0.010920 | -0.011529 | -0.020592 | -0.096909 | 0.000000 |
| 25.010960 | 0.063381 | 0.201278 | -0.099588 | 0.022063 | 0.019229 | 0.035786 | 0.214075 | 0.000000 |
| 12.592620 | 0.096724 | 0.549400 | -0.373923 | 0.088075 | 0.244304 | 0.421687 | 0.201045 | 0.000000 |
| 6.323202 | 0.065470 | 0.360933 | -0.348904 | 0.083650 | 0.082702 | 0.209233 | 0.969941 | 0.000000 |
| 2.883384 | 0.007963 | 0.046560 | 0.292080 | -0.081750 | -0.039945 | -0.497503 | -3.142628 | 0.000000 |
| 1.382868 | -0.000253 | -0.004016 | 0.687112 | -0.229392 | -1.039704 | -1.868319 | 2.126705 | 0.000000 |
| 0.632201 | -0.000032 | -0.000473 | 0.315279 | -0.209824 | 0.495303 | 2.754584 | 0.698957 | 0.000000 |
| 0.149238 | -0.000007 | -0.000209 | 0.013855 | 0.309503 | 1.695744 | -0.833109 | -3.729889 | 0.000000 |
| 0.068494 | 0.000019 | 0.000215 | -0.003439 | 0.584985 | -0.963698 | -1.231152 | 5.145733 | 0.000000 |
| 0.030381 | 0.000003 | -0.000021 | 0.002151 | 0.262791 | -0.603683 | 1.398649 | -2.527598 | 1.000000 |
Comment: N.B. Balabanov and K.A. Peterson, J. Chem. Phys. 123, 064107 (2005)