MOLPRO Basis Query, element=Th, basis=cc-pwCVQZ-X2C, l=p
Basis Th p cc-pwCVQZ-X2C
| Primitives | Contractions... |
|---|
| 72974200.000000 | 0.000012 | -0.000008 | 0.000005 | -0.000002 | 0.000001 | -0.000000 | -0.000001 | 0.000001 | 0.000001 | -0.000001 | 0.000000 | 0.000000 | 0.000000 |
| 26222400.000000 | 0.000007 | -0.000005 | 0.000003 | -0.000001 | 0.000000 | -0.000000 | -0.000000 | 0.000000 | 0.000001 | -0.000001 | 0.000000 | 0.000000 | 0.000000 |
| 9639640.000000 | 0.000035 | -0.000022 | 0.000014 | -0.000005 | 0.000002 | -0.000001 | -0.000002 | 0.000002 | 0.000003 | -0.000004 | 0.000000 | 0.000000 | 0.000000 |
| 3718010.000000 | 0.000052 | -0.000034 | 0.000021 | -0.000008 | 0.000003 | -0.000001 | -0.000003 | 0.000003 | 0.000005 | -0.000006 | 0.000000 | 0.000000 | 0.000000 |
| 1491480.000000 | 0.000126 | -0.000081 | 0.000051 | -0.000018 | 0.000007 | -0.000002 | -0.000007 | 0.000008 | 0.000012 | -0.000013 | 0.000000 | 0.000000 | 0.000000 |
| 619584.000000 | 0.000237 | -0.000152 | 0.000096 | -0.000035 | 0.000013 | -0.000003 | -0.000013 | 0.000015 | 0.000022 | -0.000026 | 0.000000 | 0.000000 | 0.000000 |
| 265383.000000 | 0.000506 | -0.000325 | 0.000205 | -0.000074 | 0.000027 | -0.000007 | -0.000028 | 0.000033 | 0.000047 | -0.000052 | 0.000000 | 0.000000 | 0.000000 |
| 116949.000000 | 0.001026 | -0.000660 | 0.000418 | -0.000150 | 0.000056 | -0.000015 | -0.000056 | 0.000067 | 0.000095 | -0.000115 | 0.000000 | 0.000000 | 0.000000 |
| 52967.900000 | 0.002184 | -0.001409 | 0.000893 | -0.000321 | 0.000119 | -0.000032 | -0.000121 | 0.000146 | 0.000205 | -0.000220 | 0.000000 | 0.000000 | 0.000000 |
| 24647.100000 | 0.004663 | -0.003020 | 0.001918 | -0.000691 | 0.000257 | -0.000070 | -0.000259 | 0.000308 | 0.000435 | -0.000542 | 0.000000 | 0.000000 | 0.000000 |
| 11793.300000 | 0.010192 | -0.006641 | 0.004226 | -0.001524 | 0.000566 | -0.000154 | -0.000575 | 0.000695 | 0.000974 | -0.001012 | 0.000000 | 0.000000 | 0.000000 |
| 5811.220000 | 0.022226 | -0.014616 | 0.009341 | -0.003377 | 0.001254 | -0.000340 | -0.001261 | 0.001499 | 0.002119 | -0.002733 | 0.000000 | 0.000000 | 0.000000 |
| 2952.050000 | 0.047538 | -0.031698 | 0.020369 | -0.007378 | 0.002740 | -0.000744 | -0.002792 | 0.003384 | 0.004738 | -0.004709 | 0.000000 | 0.000000 | 0.000000 |
| 1545.990000 | 0.095471 | -0.065032 | 0.042200 | -0.015357 | 0.005709 | -0.001550 | -0.005730 | 0.006780 | 0.009610 | -0.013008 | 0.000000 | 0.000000 | 0.000000 |
| 832.716000 | 0.170680 | -0.119646 | 0.078536 | -0.028711 | 0.010681 | -0.002900 | -0.010934 | 0.013344 | 0.018647 | -0.016823 | 0.000000 | 0.000000 | 0.000000 |
| 459.795000 | 0.250546 | -0.181409 | 0.120960 | -0.044567 | 0.016606 | -0.004508 | -0.016519 | 0.019267 | 0.027485 | -0.042861 | 0.000000 | 0.000000 | 0.000000 |
| 259.642000 | 0.268621 | -0.186399 | 0.120912 | -0.043857 | 0.016287 | -0.004422 | -0.017160 | 0.021843 | 0.029975 | -0.009263 | 0.000000 | 0.000000 | 0.000000 |
| 149.058000 | 0.188393 | -0.042904 | -0.005351 | 0.008022 | -0.003398 | 0.000930 | 0.005021 | -0.009026 | -0.011770 | -0.039536 | 0.000000 | 0.000000 | 0.000000 |
| 86.644700 | 0.094551 | 0.225052 | -0.274930 | 0.126304 | -0.048907 | 0.013299 | 0.046785 | -0.050864 | -0.076204 | 0.204781 | 0.000000 | 0.000000 | 0.000000 |
| 51.450000 | 0.060533 | 0.374015 | -0.469993 | 0.220156 | -0.085471 | 0.023263 | 0.093792 | -0.126091 | -0.176507 | -0.009433 | 0.000000 | 0.000000 | 0.000000 |
| 30.556000 | 0.036715 | 0.264723 | -0.214547 | 0.071566 | -0.025604 | 0.006914 | 0.013493 | 0.008280 | 0.011359 | 0.365535 | 0.000000 | 0.000000 | 0.000000 |
| 17.980900 | 0.011484 | 0.136912 | 0.320085 | -0.263340 | 0.111960 | -0.030618 | -0.096619 | 0.083021 | 0.145213 | -0.919707 | 0.000000 | 0.000000 | 0.000000 |
| 10.714000 | 0.003947 | 0.104036 | 0.551432 | -0.501253 | 0.222404 | -0.061119 | -0.275641 | 0.424224 | 0.637146 | 0.452822 | 0.000000 | 0.000000 | 0.000000 |
| 6.344940 | 0.001658 | 0.051623 | 0.288893 | -0.181510 | 0.064674 | -0.017422 | 0.005356 | -0.164936 | -0.369096 | -1.341570 | 1.000000 | 0.000000 | 0.000000 |
| 3.691340 | 0.000260 | 0.006122 | 0.053899 | 0.433006 | -0.258997 | 0.072467 | 0.219232 | -0.127560 | -0.149052 | 3.509320 | 0.000000 | 1.000000 | 0.000000 |
| 2.134930 | -0.000046 | -0.002671 | 0.005773 | 0.587076 | -0.406990 | 0.117733 | 0.608454 | -1.200800 | -2.678250 | -1.247900 | 0.000000 | 0.000000 | 0.000000 |
| 1.217180 | -0.000011 | -0.001400 | 0.001625 | 0.248736 | -0.114910 | 0.031259 | 0.017797 | 0.949309 | 5.353540 | -5.827470 | 0.000000 | 0.000000 | 0.000000 |
| 0.677310 | -0.000007 | -0.000139 | 0.000033 | 0.031004 | 0.372962 | -0.120278 | -1.249970 | 1.758980 | -2.512310 | 10.842400 | 0.000000 | 0.000000 | 0.000000 |
| 0.369883 | 0.000003 | 0.000004 | -0.000006 | -0.003358 | 0.540546 | -0.207270 | -0.197584 | -1.794300 | -2.609770 | -9.551980 | 0.000000 | 0.000000 | 0.000000 |
| 0.198789 | -0.000001 | 0.000032 | -0.000028 | -0.002866 | 0.279021 | -0.165041 | 0.861050 | -0.994136 | 3.828250 | 3.999300 | 0.000000 | 0.000000 | 0.000000 |
| 0.099917 | 0.000001 | -0.000001 | 0.000006 | -0.000578 | 0.049856 | 0.118953 | 0.677895 | 1.613680 | -1.149480 | 0.935732 | 0.000000 | 0.000000 | 0.000000 |
| 0.049736 | -0.000000 | 0.000003 | -0.000004 | -0.000082 | 0.003596 | 0.493425 | -0.280729 | 0.318108 | -1.120650 | -2.352510 | 0.000000 | 0.000000 | 0.000000 |
| 0.024699 | 0.000000 | -0.000001 | 0.000001 | -0.000013 | 0.001408 | 0.455675 | -0.470621 | -0.787258 | 0.811697 | 1.015820 | 0.000000 | 0.000000 | 0.000000 |
| 0.012217 | -0.000000 | 0.000000 | -0.000001 | -0.000002 | -0.000031 | 0.099949 | -0.096758 | -0.162293 | 0.174371 | 0.185064 | 0.000000 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)