MOLPRO Basis Query, element=Ac, basis=cc-pVQZ-X2C, l=p
Basis Ac p cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 73614503.000000 | 0.000009 | -0.000010 | 0.000001 | -0.000001 | 0.000001 | -0.000000 | -0.000000 | -0.000001 | 0.000001 | -0.000001 | 0.000000 |
| 26414371.000000 | 0.000006 | -0.000007 | 0.000000 | -0.000001 | 0.000000 | -0.000000 | -0.000000 | -0.000000 | 0.000001 | -0.000001 | 0.000000 |
| 9685982.500000 | 0.000027 | -0.000031 | 0.000002 | -0.000004 | 0.000002 | -0.000001 | -0.000001 | -0.000002 | 0.000003 | -0.000003 | 0.000000 |
| 3721390.300000 | 0.000041 | -0.000047 | 0.000003 | -0.000006 | 0.000003 | -0.000002 | -0.000002 | -0.000003 | 0.000005 | -0.000005 | 0.000000 |
| 1486583.500000 | 0.000098 | -0.000114 | 0.000008 | -0.000014 | 0.000007 | -0.000004 | -0.000005 | -0.000008 | 0.000011 | -0.000012 | 0.000000 |
| 615271.840000 | 0.000186 | -0.000215 | 0.000015 | -0.000026 | 0.000013 | -0.000007 | -0.000009 | -0.000014 | 0.000021 | -0.000024 | 0.000000 |
| 262707.880000 | 0.000398 | -0.000461 | 0.000032 | -0.000056 | 0.000028 | -0.000015 | -0.000020 | -0.000031 | 0.000045 | -0.000048 | 0.000000 |
| 115439.130000 | 0.000810 | -0.000941 | 0.000065 | -0.000115 | 0.000056 | -0.000030 | -0.000040 | -0.000063 | 0.000090 | -0.000106 | 0.000000 |
| 52154.565000 | 0.001731 | -0.002017 | 0.000141 | -0.000247 | 0.000121 | -0.000066 | -0.000087 | -0.000137 | 0.000197 | -0.000208 | 0.000000 |
| 24241.627000 | 0.003701 | -0.004331 | 0.000308 | -0.000533 | 0.000261 | -0.000139 | -0.000186 | -0.000291 | 0.000413 | -0.000500 | 0.000000 |
| 11611.258000 | 0.008076 | -0.009508 | 0.000686 | -0.001174 | 0.000576 | -0.000314 | -0.000413 | -0.000653 | 0.000944 | -0.000964 | 0.000000 |
| 5737.842100 | 0.017558 | -0.020872 | 0.001553 | -0.002598 | 0.001274 | -0.000677 | -0.000907 | -0.001412 | 0.001999 | -0.002498 | 0.000000 |
| 2923.962100 | 0.037495 | -0.045223 | 0.003493 | -0.005686 | 0.002788 | -0.001525 | -0.002003 | -0.003176 | 0.004613 | -0.004526 | 0.000000 |
| 1533.933400 | 0.075395 | -0.093051 | 0.007653 | -0.011911 | 0.005838 | -0.003085 | -0.004148 | -0.006437 | 0.009069 | -0.011842 | 0.000000 |
| 826.293090 | 0.135071 | -0.171967 | 0.015207 | -0.022489 | 0.011019 | -0.006080 | -0.007940 | -0.012663 | 0.018553 | -0.016847 | 0.000000 |
| 455.974340 | 0.198654 | -0.262495 | 0.025403 | -0.035336 | 0.017301 | -0.008974 | -0.012221 | -0.018735 | 0.025923 | -0.038608 | 0.000000 |
| 257.363770 | 0.217421 | -0.275928 | 0.023604 | -0.035655 | 0.017475 | -0.010172 | -0.012836 | -0.021212 | 0.032558 | -0.015127 | 0.000000 |
| 147.689580 | 0.176736 | -0.086337 | -0.027411 | 0.005134 | -0.002377 | 0.003015 | 0.002495 | 0.006339 | -0.014482 | -0.028457 | 0.000000 |
| 85.790688 | 0.153768 | 0.282740 | -0.158308 | 0.101399 | -0.049165 | 0.023116 | 0.033769 | 0.048589 | -0.060922 | 0.167107 | 0.000000 |
| 50.913858 | 0.163593 | 0.517883 | -0.281479 | 0.185161 | -0.089917 | 0.055452 | 0.067910 | 0.117381 | -0.192961 | 0.038663 | 0.000000 |
| 30.236255 | 0.106144 | 0.329602 | -0.102717 | 0.065210 | -0.031178 | 0.003612 | 0.016223 | 0.006823 | 0.035097 | 0.272925 | 0.000000 |
| 17.779967 | 0.024216 | -0.011434 | 0.344450 | -0.223785 | 0.110459 | -0.037447 | -0.071169 | -0.085167 | 0.066750 | -0.678879 | 0.000000 |
| 10.533030 | -0.004855 | -0.151737 | 0.574605 | -0.453757 | 0.232304 | -0.170180 | -0.191155 | -0.368643 | 0.716242 | 0.093809 | 0.000000 |
| 6.200474 | -0.003536 | -0.082554 | 0.304119 | -0.176509 | 0.078045 | 0.035910 | -0.024412 | 0.066306 | -0.447579 | -0.766404 | 0.000000 |
| 3.575096 | -0.000109 | -0.006769 | 0.032101 | 0.412810 | -0.258372 | 0.003332 | 0.174707 | 0.191538 | 0.077167 | 2.302970 | 0.000000 |
| 2.048101 | 0.000815 | 0.010628 | -0.026810 | 0.577951 | -0.419018 | 0.527870 | 0.392270 | 0.882053 | -2.741670 | 0.447924 | 0.000000 |
| 1.154338 | 0.000337 | 0.004583 | -0.012164 | 0.248167 | -0.133352 | -0.358771 | 0.096357 | -0.193404 | 4.573030 | -6.984190 | 0.000000 |
| 0.645371 | 0.000061 | 0.000789 | -0.002019 | 0.043563 | 0.345194 | 0.514676 | -0.732528 | -1.964690 | -1.066070 | 10.245100 | 0.000000 |
| 0.352072 | 0.000004 | 0.000081 | -0.000358 | 0.018010 | 0.533732 | -2.386850 | -0.369770 | 0.800427 | -3.181250 | -7.123550 | 0.000000 |
| 0.189267 | 0.000004 | 0.000050 | -0.000140 | 0.008174 | 0.310696 | 2.047990 | 0.248510 | 1.407690 | 2.713110 | 1.431660 | 0.000000 |
| 0.091830 | -0.000001 | -0.000003 | -0.000017 | 0.001574 | 0.049774 | 1.556120 | 0.606988 | -0.541043 | 0.105479 | 1.887990 | 0.000000 |
| 0.047768 | 0.000001 | 0.000004 | 0.000001 | -0.000188 | -0.001355 | -2.884580 | 0.315837 | -0.591414 | -0.743267 | -1.334440 | 0.000000 |
| 0.024219 | -0.000000 | -0.000002 | -0.000000 | 0.000104 | 0.001644 | 0.843479 | 0.045844 | -0.061438 | -0.093925 | -0.087437 | 0.000000 |
| 0.011996 | 0.000000 | 0.000000 | 0.000000 | -0.000025 | -0.000317 | 0.482521 | -0.001106 | -0.002820 | -0.001678 | -0.025776 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
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