MOLPRO Basis Query, element=Pa, basis=cc-pVQZ-DK3, l=d
Basis Pa d cc-pVQZ-DK3
| Primitives | Contractions... |
|---|
| 519651.790000 | 0.000003 | -0.000001 | 0.000001 | -0.000000 | -0.000000 | -0.000000 | -0.000000 | 0.000000 | 0.000000 |
| 119938.290000 | 0.000014 | -0.000005 | 0.000003 | -0.000001 | -0.000002 | -0.000002 | -0.000002 | 0.000002 | 0.000000 |
| 37575.328000 | 0.000063 | -0.000023 | 0.000014 | -0.000004 | -0.000007 | -0.000007 | -0.000006 | 0.000011 | 0.000000 |
| 13958.690000 | 0.000259 | -0.000094 | 0.000057 | -0.000016 | -0.000029 | -0.000037 | -0.000048 | 0.000035 | 0.000000 |
| 5841.985400 | 0.000984 | -0.000358 | 0.000219 | -0.000061 | -0.000110 | -0.000111 | -0.000088 | 0.000181 | 0.000000 |
| 2675.100200 | 0.003497 | -0.001277 | 0.000782 | -0.000217 | -0.000391 | -0.000505 | -0.000657 | 0.000473 | 0.000000 |
| 1314.483500 | 0.011449 | -0.004219 | 0.002578 | -0.000715 | -0.001292 | -0.001313 | -0.001057 | 0.002100 | 0.000000 |
| 682.269900 | 0.033421 | -0.012442 | 0.007597 | -0.002106 | -0.003800 | -0.004897 | -0.006336 | 0.004646 | 0.000000 |
| 369.180080 | 0.084664 | -0.032165 | 0.019575 | -0.005436 | -0.009816 | -0.009919 | -0.007880 | 0.015947 | 0.000000 |
| 206.543680 | 0.177470 | -0.068459 | 0.041611 | -0.011543 | -0.020835 | -0.027471 | -0.036677 | 0.025027 | 0.000000 |
| 118.217470 | 0.289697 | -0.110270 | 0.067088 | -0.018638 | -0.033741 | -0.031295 | -0.018280 | 0.059779 | 0.000000 |
| 68.877575 | 0.338911 | -0.112613 | 0.069493 | -0.019162 | -0.034744 | -0.057004 | -0.096181 | 0.033216 | 0.000000 |
| 40.522392 | 0.233873 | 0.014626 | -0.006007 | 0.002241 | 0.003793 | 0.035618 | 0.102276 | 0.038123 | 0.000000 |
| 23.818076 | 0.053930 | 0.252888 | -0.141526 | 0.040948 | 0.074685 | 0.031594 | -0.077570 | -0.196672 | 0.000000 |
| 13.905251 | -0.052173 | 0.420448 | -0.244186 | 0.070263 | 0.130397 | 0.261481 | 0.510711 | -0.142506 | 0.000000 |
| 8.108390 | -0.051865 | 0.324820 | -0.138681 | 0.036913 | 0.071284 | -0.084734 | -0.456129 | -0.251573 | 0.000000 |
| 4.668475 | -0.018435 | 0.113791 | 0.199669 | -0.072801 | -0.151699 | 0.055052 | 0.570482 | 0.738105 | 0.000000 |
| 2.614264 | -0.001897 | 0.012013 | 0.460464 | -0.163728 | -0.314721 | -0.929334 | -2.285140 | 1.258820 | 0.000000 |
| 1.430351 | 0.000259 | -0.001248 | 0.378819 | -0.124576 | -0.349566 | 0.324732 | 3.106780 | -4.153840 | 0.000000 |
| 0.747507 | 0.000128 | -0.000647 | 0.137713 | 0.104690 | 0.810337 | 1.484420 | -1.263230 | 4.741550 | 0.000000 |
| 0.349592 | 0.000016 | -0.000086 | 0.015122 | 0.374703 | 0.517973 | -1.415690 | -1.008380 | -3.508150 | 0.000000 |
| 0.156163 | 0.000001 | -0.000004 | -0.000028 | 0.447686 | -0.512069 | -0.149066 | 1.817420 | 1.928400 | 0.000000 |
| 0.066570 | 0.000000 | -0.000002 | 0.000093 | 0.264219 | -0.408142 | 0.683705 | -1.021300 | -0.366103 | 0.000000 |
| 0.026688 | 0.000000 | -0.000000 | -0.000051 | 0.040631 | -0.055093 | 0.067693 | -0.130258 | -0.440902 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)