MOLPRO Basis Query, element=Pa, basis=cc-pVQZ-DK3, l=p
Basis Pa p cc-pVQZ-DK3
| Primitives | Contractions... |
|---|
| 79473358.000000 | 0.000014 | -0.000017 | 0.000002 | -0.000002 | 0.000001 | -0.000000 | -0.000001 | 0.000001 | -0.000002 | 0.000002 | 0.000000 |
| 30169510.000000 | 0.000006 | -0.000008 | 0.000001 | -0.000001 | 0.000000 | -0.000000 | -0.000000 | 0.000001 | -0.000001 | 0.000001 | 0.000000 |
| 11536527.000000 | 0.000036 | -0.000043 | 0.000005 | -0.000006 | 0.000003 | -0.000001 | -0.000002 | 0.000003 | -0.000004 | 0.000005 | 0.000000 |
| 4600985.000000 | 0.000046 | -0.000055 | 0.000006 | -0.000008 | 0.000003 | -0.000001 | -0.000002 | 0.000004 | -0.000005 | 0.000006 | 0.000000 |
| 1901781.200000 | 0.000109 | -0.000130 | 0.000015 | -0.000018 | 0.000008 | -0.000002 | -0.000005 | 0.000009 | -0.000013 | 0.000014 | 0.000000 |
| 810996.810000 | 0.000184 | -0.000221 | 0.000026 | -0.000031 | 0.000014 | -0.000003 | -0.000009 | 0.000015 | -0.000021 | 0.000024 | 0.000000 |
| 355348.740000 | 0.000374 | -0.000448 | 0.000052 | -0.000063 | 0.000028 | -0.000007 | -0.000018 | 0.000031 | -0.000044 | 0.000049 | 0.000000 |
| 159723.560000 | 0.000701 | -0.000843 | 0.000099 | -0.000118 | 0.000053 | -0.000013 | -0.000034 | 0.000058 | -0.000080 | 0.000091 | 0.000000 |
| 73559.638000 | 0.001408 | -0.001698 | 0.000201 | -0.000239 | 0.000107 | -0.000026 | -0.000070 | 0.000117 | -0.000167 | 0.000190 | 0.000000 |
| 34691.226000 | 0.002824 | -0.003422 | 0.000407 | -0.000483 | 0.000216 | -0.000052 | -0.000141 | 0.000235 | -0.000321 | 0.000367 | 0.000000 |
| 16755.441000 | 0.005878 | -0.007162 | 0.000861 | -0.001017 | 0.000455 | -0.000109 | -0.000296 | 0.000500 | -0.000720 | 0.000817 | 0.000000 |
| 8290.961600 | 0.012361 | -0.015188 | 0.001854 | -0.002168 | 0.000970 | -0.000233 | -0.000631 | 0.001050 | -0.001424 | 0.001626 | 0.000000 |
| 4207.450000 | 0.026092 | -0.032446 | 0.004049 | -0.004682 | 0.002097 | -0.000504 | -0.001365 | 0.002309 | -0.003361 | 0.003811 | 0.000000 |
| 2193.302000 | 0.053197 | -0.067411 | 0.008683 | -0.009856 | 0.004409 | -0.001059 | -0.002867 | 0.004759 | -0.006363 | 0.007279 | 0.000000 |
| 1174.909900 | 0.100045 | -0.130182 | 0.017534 | -0.019458 | 0.008712 | -0.002093 | -0.005677 | 0.009642 | -0.014295 | 0.016201 | 0.000000 |
| 645.420980 | 0.162238 | -0.218574 | 0.031065 | -0.033450 | 0.014953 | -0.003592 | -0.009719 | 0.016020 | -0.020667 | 0.023747 | 0.000000 |
| 362.800390 | 0.207840 | -0.285747 | 0.041963 | -0.044575 | 0.019971 | -0.004799 | -0.013037 | 0.022518 | -0.035737 | 0.040270 | 0.000000 |
| 207.772110 | 0.195553 | -0.215023 | 0.017714 | -0.025786 | 0.011464 | -0.002748 | -0.007378 | 0.010963 | -0.006298 | 0.007690 | 0.000000 |
| 120.530900 | 0.158066 | 0.068777 | -0.084136 | 0.050482 | -0.022497 | 0.005422 | 0.014619 | -0.021975 | 0.013524 | -0.018521 | 0.000000 |
| 70.731058 | 0.169071 | 0.422019 | -0.261134 | 0.179663 | -0.081255 | 0.019617 | 0.053607 | -0.096227 | 0.173588 | -0.200156 | 0.000000 |
| 41.871842 | 0.154425 | 0.458137 | -0.273607 | 0.183227 | -0.081611 | 0.019657 | 0.053092 | -0.080465 | 0.051662 | -0.065619 | 0.000000 |
| 24.577007 | 0.066435 | 0.156826 | 0.105340 | -0.079234 | 0.037883 | -0.009303 | -0.025520 | 0.031598 | 0.047052 | -0.016476 | 0.000000 |
| 14.214326 | 0.007234 | -0.086211 | 0.544809 | -0.445049 | 0.218698 | -0.053766 | -0.148715 | 0.285270 | -0.622415 | 0.762855 | 0.000000 |
| 8.297189 | -0.001757 | -0.092508 | 0.454066 | -0.410533 | 0.199517 | -0.048975 | -0.134462 | 0.190703 | 0.054805 | -0.181459 | 0.000000 |
| 4.761159 | -0.000521 | -0.024203 | 0.123510 | 0.217871 | -0.153419 | 0.039764 | 0.121114 | -0.199383 | -0.078805 | 0.116328 | 0.000000 |
| 2.693088 | 0.000146 | 0.001280 | 0.008343 | 0.624910 | -0.443003 | 0.117532 | 0.321416 | -0.683223 | 2.248410 | -4.075020 | 0.000000 |
| 1.516457 | 0.000093 | 0.001364 | 0.001129 | 0.358724 | -0.265190 | 0.071494 | 0.273622 | -0.408125 | -2.007440 | 8.346350 | 0.000000 |
| 0.843705 | 0.000032 | 0.000455 | -0.000287 | 0.078144 | 0.244184 | -0.083428 | -0.529718 | 1.779540 | -2.070760 | -6.892820 | 0.000000 |
| 0.455219 | -0.000001 | 0.000004 | 0.000216 | 0.024637 | 0.531408 | -0.187546 | -0.507901 | 0.165801 | 3.992300 | 0.899395 | 0.000000 |
| 0.245604 | 0.000005 | 0.000062 | -0.000035 | 0.013627 | 0.371477 | -0.188184 | -0.004831 | -1.565270 | -1.260210 | 3.729640 | 0.000000 |
| 0.128694 | -0.000001 | -0.000010 | 0.000061 | 0.003802 | 0.103912 | 0.017697 | 0.535346 | -0.110625 | -1.381120 | -3.629550 | 0.000000 |
| 0.060911 | 0.000001 | 0.000007 | -0.000016 | 0.000275 | 0.010083 | 0.420252 | 0.529227 | 0.822549 | 0.834220 | 0.953909 | 0.000000 |
| 0.029168 | -0.000000 | -0.000003 | 0.000008 | 0.000053 | 0.001037 | 0.536791 | 0.076608 | 0.150157 | 0.270940 | 0.382965 | 0.000000 |
| 0.013803 | 0.000000 | 0.000001 | -0.000002 | -0.000007 | -0.000016 | 0.164162 | 0.004477 | 0.006335 | -0.000860 | 0.018994 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
| 