MOLPRO Basis Query, element=Th, basis=ROOS_DZP, l=s
Basis Th s ROOS_DZP
| Primitives | Contractions... |
|---|
| 54571543.300000 | 0.001956 | -0.000802 | 0.000391 | -0.000202 | 0.000098 | -0.000044 | 0.000015 | -0.000031 |
| 13786086.400000 | 0.002000 | -0.000822 | 0.000401 | -0.000207 | 0.000101 | -0.000045 | 0.000016 | -0.000032 |
| 4322093.510000 | 0.005452 | -0.002244 | 0.001094 | -0.000565 | 0.000276 | -0.000122 | 0.000043 | -0.000088 |
| 1465529.540000 | 0.008578 | -0.003550 | 0.001731 | -0.000894 | 0.000437 | -0.000194 | 0.000068 | -0.000139 |
| 529825.664000 | 0.017041 | -0.007095 | 0.003464 | -0.001790 | 0.000874 | -0.000388 | 0.000135 | -0.000279 |
| 200306.044000 | 0.029258 | -0.012334 | 0.006035 | -0.003121 | 0.001524 | -0.000676 | 0.000236 | -0.000486 |
| 78732.668000 | 0.053321 | -0.022880 | 0.011231 | -0.005810 | 0.002837 | -0.001259 | 0.000440 | -0.000904 |
| 31849.574000 | 0.093110 | -0.041225 | 0.020342 | -0.010545 | 0.005151 | -0.002285 | 0.000798 | -0.001643 |
| 13151.379800 | 0.162469 | -0.075547 | 0.037622 | -0.019529 | 0.009546 | -0.004240 | 0.001481 | -0.003042 |
| 5538.425560 | 0.256365 | -0.129940 | 0.065729 | -0.034307 | 0.016789 | -0.007446 | 0.002602 | -0.005362 |
| 2391.362280 | 0.322457 | -0.184625 | 0.095769 | -0.050167 | 0.024586 | -0.010941 | 0.003821 | -0.007832 |
| 1061.940770 | 0.234683 | -0.124461 | 0.062376 | -0.032687 | 0.015997 | -0.007042 | 0.002466 | -0.005146 |
| 482.804648 | 0.056833 | 0.237742 | -0.190061 | 0.111906 | -0.056501 | 0.025103 | -0.008798 | 0.018357 |
| 228.096808 | 0.000512 | 0.590720 | -0.593613 | 0.368435 | -0.189148 | 0.085396 | -0.029854 | 0.061039 |
| 111.376336 | 0.000522 | 0.306968 | -0.294032 | 0.199490 | -0.105291 | 0.046421 | -0.016377 | 0.035173 |
| 55.937697 | -0.000292 | 0.023037 | 0.766230 | -0.848818 | 0.509515 | -0.234612 | 0.082924 | -0.176624 |
| 28.397988 | 0.000120 | 0.002148 | 0.597102 | -0.834160 | 0.542726 | -0.265417 | 0.093446 | -0.187814 |
| 14.255509 | -0.000055 | -0.001295 | 0.047075 | 0.858900 | -0.815177 | 0.437401 | -0.156249 | 0.328415 |
| 7.157716 | 0.000032 | 0.000562 | 0.008060 | 0.778995 | -1.143452 | 0.660528 | -0.245573 | 0.548613 |
| 3.366514 | -0.000016 | -0.000283 | -0.004153 | 0.038106 | 0.943307 | -0.761876 | 0.302104 | -0.811867 |
| 1.572143 | 0.000008 | 0.000156 | 0.002038 | 0.008480 | 0.798955 | -1.033348 | 0.440321 | -0.893678 |
| 0.681378 | -0.000004 | -0.000072 | -0.001002 | -0.004094 | -0.003615 | 0.957834 | -0.520428 | 2.120128 |
| 0.269219 | 0.000002 | 0.000035 | 0.000511 | 0.002030 | 0.017161 | 0.730911 | -0.724086 | -0.365061 |
| 0.107688 | -0.000001 | -0.000020 | -0.000286 | -0.001182 | -0.009792 | -0.059869 | 0.571296 | -1.939472 |
| 0.043075 | 0.000001 | 0.000011 | 0.000156 | 0.000651 | 0.005432 | 0.041343 | 0.817566 | 1.096586 |
| 0.017230 | -0.000000 | -0.000005 | -0.000073 | -0.000304 | -0.002548 | -0.019417 | 0.033058 | 0.479140 |
| 0.006892 | 0.000000 | 0.000001 | 0.000021 | 0.000088 | 0.000737 | 0.005619 | 0.005656 | -0.042002 |
Comment: B.O. Roos, R. Lindh, P.-A. Malmqvist, V. Veryazov, and P.-O. Widmark, Chem. Phys.Letters 409, 295 (2005)
| 