MOLPRO Basis Query, element=Th, basis=cc-pVQZ-DK3, l=p
Basis Th p cc-pVQZ-DK3
| Primitives | Contractions... |
|---|
| 72974200.000000 | 0.000014 | -0.000017 | 0.000002 | -0.000002 | 0.000001 | -0.000000 | -0.000001 | -0.000001 | 0.000002 | -0.000002 | 0.000000 |
| 26222400.000000 | 0.000009 | -0.000010 | 0.000001 | -0.000001 | 0.000001 | -0.000000 | -0.000000 | -0.000001 | 0.000001 | -0.000001 | 0.000000 |
| 9639640.000000 | 0.000038 | -0.000046 | 0.000005 | -0.000006 | 0.000003 | -0.000001 | -0.000002 | -0.000003 | 0.000004 | -0.000005 | 0.000000 |
| 3718010.000000 | 0.000055 | -0.000066 | 0.000007 | -0.000009 | 0.000004 | -0.000001 | -0.000003 | -0.000004 | 0.000006 | -0.000007 | 0.000000 |
| 1491480.000000 | 0.000126 | -0.000150 | 0.000017 | -0.000021 | 0.000009 | -0.000002 | -0.000006 | -0.000010 | 0.000014 | -0.000016 | 0.000000 |
| 619584.000000 | 0.000226 | -0.000270 | 0.000031 | -0.000037 | 0.000017 | -0.000004 | -0.000010 | -0.000018 | 0.000025 | -0.000029 | 0.000000 |
| 265383.000000 | 0.000463 | -0.000554 | 0.000064 | -0.000076 | 0.000034 | -0.000008 | -0.000021 | -0.000037 | 0.000052 | -0.000057 | 0.000000 |
| 116949.000000 | 0.000906 | -0.001087 | 0.000125 | -0.000150 | 0.000067 | -0.000017 | -0.000042 | -0.000073 | 0.000101 | -0.000117 | 0.000000 |
| 52967.900000 | 0.001871 | -0.002253 | 0.000261 | -0.000312 | 0.000140 | -0.000034 | -0.000088 | -0.000152 | 0.000213 | -0.000230 | 0.000000 |
| 24647.100000 | 0.003895 | -0.004713 | 0.000552 | -0.000655 | 0.000293 | -0.000072 | -0.000184 | -0.000316 | 0.000439 | -0.000516 | 0.000000 |
| 11793.300000 | 0.008339 | -0.010158 | 0.001203 | -0.001418 | 0.000635 | -0.000157 | -0.000399 | -0.000693 | 0.000973 | -0.001029 | 0.000000 |
| 5811.220000 | 0.017893 | -0.022022 | 0.002660 | -0.003101 | 0.001389 | -0.000343 | -0.000869 | -0.001493 | 0.002066 | -0.002487 | 0.000000 |
| 2952.050000 | 0.037845 | -0.047287 | 0.005859 | -0.006730 | 0.003015 | -0.000745 | -0.001894 | -0.003302 | 0.004652 | -0.004787 | 0.000000 |
| 1545.990000 | 0.075400 | -0.096436 | 0.012454 | -0.013989 | 0.006266 | -0.001548 | -0.003915 | -0.006710 | 0.009253 | -0.011503 | 0.000000 |
| 832.716000 | 0.133807 | -0.176560 | 0.023936 | -0.026180 | 0.011724 | -0.002897 | -0.007378 | -0.012930 | 0.018345 | -0.017901 | 0.000000 |
| 459.795000 | 0.194838 | -0.266559 | 0.038371 | -0.040712 | 0.018232 | -0.004506 | -0.011355 | -0.019267 | 0.026214 | -0.035895 | 0.000000 |
| 259.642000 | 0.211290 | -0.275388 | 0.035886 | -0.039982 | 0.017898 | -0.004422 | -0.011384 | -0.020591 | 0.030342 | -0.019453 | 0.000000 |
| 149.058000 | 0.173337 | -0.081077 | -0.027349 | 0.008312 | -0.003713 | 0.000927 | 0.002742 | 0.006825 | -0.013681 | -0.015053 | 0.000000 |
| 86.644700 | 0.158567 | 0.281145 | -0.179107 | 0.119173 | -0.053596 | 0.013295 | 0.033030 | 0.053478 | -0.068509 | 0.144953 | 0.000000 |
| 51.450000 | 0.170401 | 0.494899 | -0.306474 | 0.208001 | -0.093727 | 0.023263 | 0.060812 | 0.114716 | -0.180018 | 0.082289 | 0.000000 |
| 30.556000 | 0.108377 | 0.308401 | -0.106224 | 0.065809 | -0.028226 | 0.006920 | 0.014448 | 0.008381 | 0.024966 | 0.185022 | 0.000000 |
| 17.980900 | 0.025806 | 0.003027 | 0.348574 | -0.255826 | 0.121702 | -0.030609 | -0.073391 | -0.104624 | 0.107290 | -0.558946 | 0.000000 |
| 10.714000 | -0.001630 | -0.110845 | 0.554209 | -0.486213 | 0.241236 | -0.061119 | -0.167403 | -0.352449 | 0.646677 | -0.077724 | 0.000000 |
| 6.344940 | -0.001759 | -0.059618 | 0.288891 | -0.175905 | 0.071484 | -0.017438 | -0.026496 | 0.052303 | -0.370973 | -0.500943 | 0.000000 |
| 3.691340 | -0.000254 | -0.008702 | 0.049952 | 0.420729 | -0.273342 | 0.072452 | 0.171633 | 0.223882 | -0.065869 | 1.871740 | 0.000000 |
| 2.134930 | 0.000212 | 0.002516 | 0.001130 | 0.567441 | -0.424566 | 0.117731 | 0.345348 | 0.861209 | -2.392590 | 1.075910 | 0.000000 |
| 1.217180 | 0.000079 | 0.001130 | -0.000395 | 0.243988 | -0.125028 | 0.031286 | 0.074658 | -0.224767 | 3.831570 | -7.190950 | 0.000000 |
| 0.677310 | 0.000024 | 0.000280 | -0.000176 | 0.047893 | 0.354624 | -0.120254 | -0.588032 | -1.789200 | -0.263403 | 9.344990 | 0.000000 |
| 0.369883 | 0.000001 | 0.000030 | 0.000025 | 0.020955 | 0.525580 | -0.207254 | -0.402227 | 0.529901 | -3.332320 | -5.351960 | 0.000000 |
| 0.198789 | 0.000004 | 0.000039 | 0.000011 | 0.010506 | 0.297090 | -0.165046 | 0.128650 | 1.443000 | 2.197900 | -0.247177 | 0.000000 |
| 0.099917 | -0.000001 | -0.000003 | 0.000010 | 0.002083 | 0.060373 | 0.118856 | 0.605675 | -0.303195 | 0.638114 | 2.604300 | 0.000000 |
| 0.049736 | 0.000000 | 0.000004 | -0.000000 | 0.000078 | 0.003638 | 0.493305 | 0.406056 | -0.699961 | -0.907482 | -1.348520 | 0.000000 |
| 0.024699 | -0.000000 | -0.000002 | 0.000001 | 0.000051 | 0.001299 | 0.455766 | 0.047250 | -0.069113 | -0.107039 | -0.118946 | 0.000000 |
| 0.012217 | 0.000000 | 0.000000 | -0.000000 | -0.000009 | -0.000183 | 0.100051 | 0.001768 | -0.006900 | -0.009808 | -0.036268 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)