MOLPRO Basis Query, element=Ir, basis=AVTZ-DK3, l=s
Basis Ir s AVTZ-DK3
| Primitives | Contractions... |
|---|
| 32974650000.000000 | 0.000011 | -0.000006 | 0.000002 | -0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 4675553000.000000 | 0.000033 | -0.000016 | 0.000006 | -0.000004 | 0.000001 | -0.000000 | -0.000001 | -0.000001 | 0.000000 | 0.000000 |
| 870208500.000000 | 0.000094 | -0.000046 | 0.000018 | -0.000011 | 0.000004 | -0.000001 | -0.000002 | -0.000003 | 0.000000 | 0.000000 |
| 201603200.000000 | 0.000221 | -0.000109 | 0.000043 | -0.000026 | 0.000009 | -0.000003 | -0.000005 | -0.000007 | 0.000000 | 0.000000 |
| 55561520.000000 | 0.000470 | -0.000230 | 0.000091 | -0.000055 | 0.000019 | -0.000005 | -0.000010 | -0.000014 | 0.000000 | 0.000000 |
| 17534310.000000 | 0.000919 | -0.000450 | 0.000178 | -0.000107 | 0.000037 | -0.000011 | -0.000020 | -0.000028 | 0.000000 | 0.000000 |
| 6139520.000000 | 0.001706 | -0.000837 | 0.000330 | -0.000200 | 0.000069 | -0.000020 | -0.000038 | -0.000052 | 0.000000 | 0.000000 |
| 2324907.000000 | 0.003056 | -0.001502 | 0.000592 | -0.000359 | 0.000123 | -0.000036 | -0.000068 | -0.000094 | 0.000000 | 0.000000 |
| 933126.400000 | 0.005370 | -0.002646 | 0.001045 | -0.000633 | 0.000218 | -0.000063 | -0.000120 | -0.000165 | 0.000000 | 0.000000 |
| 390898.200000 | 0.009342 | -0.004624 | 0.001832 | -0.001109 | 0.000382 | -0.000111 | -0.000211 | -0.000290 | 0.000000 | 0.000000 |
| 169016.300000 | 0.016219 | -0.008083 | 0.003218 | -0.001947 | 0.000670 | -0.000195 | -0.000368 | -0.000506 | 0.000000 | 0.000000 |
| 74861.910000 | 0.028206 | -0.014211 | 0.005696 | -0.003442 | 0.001185 | -0.000344 | -0.000658 | -0.000902 | 0.000000 | 0.000000 |
| 33814.280000 | 0.049147 | -0.025185 | 0.010202 | -0.006157 | 0.002121 | -0.000616 | -0.001161 | -0.001597 | 0.000000 | 0.000000 |
| 15543.290000 | 0.085104 | -0.044818 | 0.018462 | -0.011114 | 0.003826 | -0.001112 | -0.002135 | -0.002926 | 0.000000 | 0.000000 |
| 7269.193000 | 0.142979 | -0.078733 | 0.033304 | -0.019991 | 0.006894 | -0.002005 | -0.003748 | -0.005165 | 0.000000 | 0.000000 |
| 3462.329000 | 0.219890 | -0.130620 | 0.057652 | -0.034446 | 0.011871 | -0.003451 | -0.006702 | -0.009159 | 0.000000 | 0.000000 |
| 1682.339000 | 0.274776 | -0.184452 | 0.086787 | -0.051694 | 0.017903 | -0.005208 | -0.009528 | -0.013212 | 0.000000 | 0.000000 |
| 835.358400 | 0.224956 | -0.168369 | 0.083683 | -0.049745 | 0.017161 | -0.004990 | -0.010387 | -0.013968 | 0.000000 | 0.000000 |
| 424.393400 | 0.093543 | 0.030919 | -0.043411 | 0.026751 | -0.009454 | 0.002758 | 0.007453 | 0.009495 | 0.000000 | 0.000000 |
| 220.615200 | 0.039261 | 0.371295 | -0.358444 | 0.235579 | -0.086315 | 0.025239 | 0.042904 | 0.061305 | 0.000000 | 0.000000 |
| 117.155900 | 0.033151 | 0.435509 | -0.552871 | 0.396577 | -0.148199 | 0.043451 | 0.094658 | 0.126809 | 0.000000 | 0.000000 |
| 63.305790 | 0.016046 | 0.175732 | -0.099969 | 0.062666 | -0.025922 | 0.007633 | -0.010376 | -0.005832 | 0.000000 | 0.000000 |
| 34.570300 | 0.026346 | 0.083390 | 0.633557 | -0.848974 | 0.400173 | -0.120139 | -0.184230 | -0.283358 | 0.000000 | 0.000000 |
| 18.882380 | 0.018048 | 0.051048 | 0.458399 | -0.812564 | 0.396197 | -0.119868 | -0.318541 | -0.413702 | 0.000000 | 0.000000 |
| 10.168200 | 0.003947 | 0.009995 | 0.134987 | 0.499516 | -0.350276 | 0.110112 | 0.367546 | 0.496633 | 0.000000 | 0.000000 |
| 5.296320 | 0.002042 | 0.004784 | 0.107748 | 0.904318 | -0.934482 | 0.319563 | 0.417118 | 0.772241 | 0.000000 | 0.000000 |
| 2.604157 | 0.000372 | 0.000796 | 0.019809 | 0.187195 | -0.133564 | 0.043605 | 0.567742 | 0.708066 | 0.000000 | 0.000000 |
| 1.371401 | -0.000006 | 0.000018 | -0.000186 | -0.003964 | 0.882206 | -0.422115 | -2.050786 | -4.678305 | 0.000000 | 0.000000 |
| 0.643166 | -0.000005 | -0.000020 | -0.000198 | 0.003431 | 0.536675 | -0.371744 | 0.501788 | 4.890352 | 0.000000 | 0.000000 |
| 0.199027 | 0.000000 | 0.000004 | 0.000022 | -0.000551 | 0.037077 | 0.259870 | 2.029874 | -1.992169 | 0.000000 | 0.000000 |
| 0.090261 | -0.000000 | -0.000003 | -0.000021 | 0.000324 | -0.007112 | 0.660364 | -1.114577 | -0.579087 | 0.000000 | 0.000000 |
| 0.038152 | 0.000000 | 0.000001 | 0.000005 | -0.000095 | 0.002597 | 0.304726 | -0.523581 | 1.151310 | 1.000000 | 0.000000 |
| 0.016100 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database