MOLPRO Basis Query, element=Pa, basis=cc-pVQZ-X2C, l=d
Basis Pa d cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 519651.790000 | 0.000002 | -0.000001 | 0.000000 | -0.000000 | -0.000000 | -0.000000 | -0.000000 | 0.000000 | 0.000000 |
| 119938.290000 | 0.000012 | -0.000004 | 0.000003 | -0.000001 | -0.000001 | -0.000002 | -0.000002 | 0.000002 | 0.000000 |
| 37575.328000 | 0.000058 | -0.000021 | 0.000013 | -0.000004 | -0.000006 | -0.000007 | -0.000005 | 0.000011 | 0.000000 |
| 13958.690000 | 0.000246 | -0.000089 | 0.000055 | -0.000015 | -0.000027 | -0.000035 | -0.000046 | 0.000033 | 0.000000 |
| 5841.985400 | 0.000960 | -0.000349 | 0.000214 | -0.000059 | -0.000107 | -0.000108 | -0.000085 | 0.000177 | 0.000000 |
| 2675.100200 | 0.003464 | -0.001265 | 0.000775 | -0.000215 | -0.000387 | -0.000501 | -0.000654 | 0.000468 | 0.000000 |
| 1314.483500 | 0.011421 | -0.004209 | 0.002572 | -0.000714 | -0.001289 | -0.001309 | -0.001052 | 0.002096 | 0.000000 |
| 682.269900 | 0.033409 | -0.012439 | 0.007595 | -0.002106 | -0.003799 | -0.004895 | -0.006338 | 0.004644 | 0.000000 |
| 369.180080 | 0.084671 | -0.032170 | 0.019577 | -0.005437 | -0.009817 | -0.009918 | -0.007879 | 0.015952 | 0.000000 |
| 206.543680 | 0.177488 | -0.068468 | 0.041615 | -0.011545 | -0.020838 | -0.027472 | -0.036690 | 0.025021 | 0.000000 |
| 118.217470 | 0.289712 | -0.110278 | 0.067091 | -0.018641 | -0.033743 | -0.031289 | -0.018277 | 0.059810 | 0.000000 |
| 68.877575 | 0.338910 | -0.112610 | 0.069491 | -0.019163 | -0.034745 | -0.057001 | -0.096205 | 0.033159 | 0.000000 |
| 40.522392 | 0.233858 | 0.014641 | -0.006017 | 0.002245 | 0.003801 | 0.035631 | 0.102315 | 0.038239 | 0.000000 |
| 23.818076 | 0.053919 | 0.252905 | -0.141535 | 0.040954 | 0.074688 | 0.031573 | -0.077603 | -0.196903 | 0.000000 |
| 13.905251 | -0.052174 | 0.420451 | -0.244187 | 0.070270 | 0.130409 | 0.261481 | 0.510827 | -0.142162 | 0.000000 |
| 8.108390 | -0.051861 | 0.324804 | -0.138663 | 0.036910 | 0.071260 | -0.084790 | -0.456278 | -0.252200 | 0.000000 |
| 4.668475 | -0.018433 | 0.113780 | 0.199690 | -0.072813 | -0.151698 | 0.055107 | 0.570640 | 0.739244 | 0.000000 |
| 2.614264 | -0.001897 | 0.012011 | 0.460471 | -0.163747 | -0.314763 | -0.929276 | -2.285620 | 1.257520 | 0.000000 |
| 1.430351 | 0.000259 | -0.001248 | 0.378802 | -0.124577 | -0.349534 | 0.324696 | 3.107630 | -4.153220 | 0.000000 |
| 0.747507 | 0.000128 | -0.000647 | 0.137703 | 0.104717 | 0.810477 | 1.484390 | -1.263980 | 4.742000 | 0.000000 |
| 0.349592 | 0.000016 | -0.000086 | 0.015120 | 0.374753 | 0.517808 | -1.415730 | -1.008010 | -3.509450 | 0.000000 |
| 0.156163 | 0.000001 | -0.000004 | -0.000028 | 0.447707 | -0.512122 | -0.149074 | 1.817440 | 1.930120 | 0.000000 |
| 0.066570 | 0.000000 | -0.000002 | 0.000093 | 0.264143 | -0.408121 | 0.683879 | -1.021690 | -0.367681 | 0.000000 |
| 0.026688 | 0.000000 | -0.000000 | -0.000051 | 0.040588 | -0.055049 | 0.067593 | -0.129857 | -0.440076 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)