MOLPRO Basis Query, element=Th, basis=cc-pVQZ-DK3, l=d
Basis Th d cc-pVQZ-DK3
| Primitives | Contractions... |
|---|
| 539456.000000 | 0.000002 | -0.000001 | 0.000000 | -0.000000 | -0.000000 | -0.000000 | 0.000000 | -0.000000 | 0.000000 |
| 124816.000000 | 0.000012 | -0.000005 | 0.000003 | -0.000001 | -0.000001 | -0.000002 | 0.000002 | -0.000002 | 0.000000 |
| 39067.200000 | 0.000056 | -0.000021 | 0.000012 | -0.000003 | -0.000006 | -0.000006 | 0.000005 | -0.000006 | 0.000000 |
| 14490.500000 | 0.000229 | -0.000085 | 0.000050 | -0.000014 | -0.000025 | -0.000031 | 0.000041 | -0.000042 | 0.000000 |
| 6064.690000 | 0.000867 | -0.000322 | 0.000190 | -0.000052 | -0.000097 | -0.000098 | 0.000069 | -0.000093 | 0.000000 |
| 2775.470000 | 0.003092 | -0.001153 | 0.000680 | -0.000185 | -0.000346 | -0.000427 | 0.000567 | -0.000577 | 0.000000 |
| 1360.350000 | 0.010235 | -0.003850 | 0.002266 | -0.000615 | -0.001152 | -0.001175 | 0.000855 | -0.001122 | 0.000000 |
| 703.085000 | 0.030414 | -0.011554 | 0.006799 | -0.001847 | -0.003458 | -0.004243 | 0.005545 | -0.005681 | 0.000000 |
| 378.178000 | 0.078857 | -0.030531 | 0.017911 | -0.004866 | -0.009105 | -0.009301 | 0.006828 | -0.008889 | 0.000000 |
| 210.090000 | 0.169789 | -0.066858 | 0.039190 | -0.010656 | -0.019952 | -0.024798 | 0.033297 | -0.033989 | 0.000000 |
| 119.444000 | 0.284189 | -0.110711 | 0.064894 | -0.017633 | -0.033057 | -0.032056 | 0.017417 | -0.026984 | 0.000000 |
| 69.167400 | 0.341541 | -0.118638 | 0.070339 | -0.019063 | -0.035887 | -0.052247 | 0.091405 | -0.089477 | 0.000000 |
| 40.526600 | 0.244243 | 0.001321 | 0.000695 | 0.000381 | 0.000449 | 0.022119 | -0.090711 | 0.069430 | 0.000000 |
| 23.754300 | 0.064496 | 0.240605 | -0.132367 | 0.037273 | 0.070459 | 0.041407 | 0.078514 | -0.027291 | 0.000000 |
| 13.812700 | -0.045979 | 0.418354 | -0.237929 | 0.067191 | 0.128704 | 0.225817 | -0.482656 | 0.481096 | 0.000000 |
| 8.039830 | -0.050189 | 0.334783 | -0.149240 | 0.039188 | 0.080319 | -0.025569 | 0.416738 | -0.333335 | 0.000000 |
| 4.629490 | -0.018771 | 0.123476 | 0.173294 | -0.061341 | -0.137635 | -0.002568 | -0.570002 | 0.325471 | 0.000000 |
| 2.599590 | -0.002173 | 0.014606 | 0.442980 | -0.153390 | -0.296434 | -0.736289 | 2.087560 | -2.643690 | 0.000000 |
| 1.437150 | 0.000276 | -0.001238 | 0.390552 | -0.129794 | -0.390885 | -0.085215 | -2.337690 | 5.244300 | 0.000000 |
| 0.768223 | 0.000148 | -0.000760 | 0.160001 | 0.058996 | 0.659909 | 1.751720 | 0.014703 | -5.026070 | 0.000000 |
| 0.380607 | 0.000027 | -0.000135 | 0.023127 | 0.303458 | 0.675312 | -1.122810 | 2.117640 | 2.806460 | 0.000000 |
| 0.181177 | 0.000000 | -0.000007 | 0.000387 | 0.426201 | -0.334107 | -0.628230 | -2.129350 | -0.500112 | 0.000000 |
| 0.082317 | 0.000001 | -0.000002 | 0.000190 | 0.330333 | -0.486935 | 0.698532 | 0.598823 | -0.983434 | 0.000000 |
| 0.035263 | -0.000000 | -0.000000 | -0.000069 | 0.102206 | -0.136677 | 0.216807 | 0.445825 | 0.990609 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
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