MOLPRO Basis Query, element=Th, basis=cc-pwCVTZ-DK3, l=s
Basis Th s cc-pwCVTZ-DK3
| Primitives | Contractions... |
|---|
| 57354700.000000 | 0.001763 | -0.000773 | 0.000668 | -0.000111 | 0.000089 | -0.000041 | 0.000019 | 0.000034 | 0.000045 | 0.000056 | 0.000000 | 0.000000 | 0.000000 |
| 15266300.000000 | 0.001550 | -0.000679 | 0.000587 | -0.000098 | 0.000078 | -0.000036 | 0.000017 | 0.000030 | 0.000039 | 0.000049 | 0.000000 | 0.000000 | 0.000000 |
| 5222650.000000 | 0.004475 | -0.001964 | 0.001697 | -0.000283 | 0.000225 | -0.000105 | 0.000049 | 0.000086 | 0.000113 | 0.000143 | 0.000000 | 0.000000 | 0.000000 |
| 1986480.000000 | 0.005586 | -0.002456 | 0.002124 | -0.000355 | 0.000282 | -0.000131 | 0.000061 | 0.000108 | 0.000142 | 0.000179 | 0.000000 | 0.000000 | 0.000000 |
| 828684.000000 | 0.010991 | -0.004849 | 0.004199 | -0.000702 | 0.000558 | -0.000259 | 0.000121 | 0.000213 | 0.000280 | 0.000354 | 0.000000 | 0.000000 | 0.000000 |
| 366334.000000 | 0.015214 | -0.006749 | 0.005858 | -0.000981 | 0.000779 | -0.000363 | 0.000169 | 0.000297 | 0.000392 | 0.000497 | 0.000000 | 0.000000 | 0.000000 |
| 170394.000000 | 0.025940 | -0.011591 | 0.010092 | -0.001696 | 0.001345 | -0.000626 | 0.000292 | 0.000513 | 0.000676 | 0.000849 | 0.000000 | 0.000000 | 0.000000 |
| 82200.700000 | 0.037342 | -0.016888 | 0.014777 | -0.002493 | 0.001975 | -0.000919 | 0.000429 | 0.000754 | 0.000995 | 0.001270 | 0.000000 | 0.000000 | 0.000000 |
| 40916.100000 | 0.059530 | -0.027345 | 0.024086 | -0.004088 | 0.003231 | -0.001503 | 0.000702 | 0.001232 | 0.001621 | 0.002019 | 0.000000 | 0.000000 | 0.000000 |
| 20874.000000 | 0.086146 | -0.040568 | 0.036098 | -0.006179 | 0.004871 | -0.002267 | 0.001060 | 0.001863 | 0.002462 | 0.003184 | 0.000000 | 0.000000 | 0.000000 |
| 10882.100000 | 0.128561 | -0.062618 | 0.056506 | -0.009792 | 0.007683 | -0.003576 | 0.001671 | 0.002925 | 0.003843 | 0.004689 | 0.000000 | 0.000000 | 0.000000 |
| 5778.570000 | 0.173179 | -0.088901 | 0.081915 | -0.014451 | 0.011279 | -0.005254 | 0.002455 | 0.004328 | 0.005737 | 0.007643 | 0.000000 | 0.000000 | 0.000000 |
| 3118.860000 | 0.215731 | -0.118672 | 0.112442 | -0.020332 | 0.015718 | -0.007319 | 0.003420 | 0.005965 | 0.007800 | 0.009001 | 0.000000 | 0.000000 | 0.000000 |
| 1707.150000 | 0.210095 | -0.123978 | 0.120587 | -0.022300 | 0.017154 | -0.008002 | 0.003742 | 0.006655 | 0.008920 | 0.013166 | 0.000000 | 0.000000 | 0.000000 |
| 945.440000 | 0.147146 | -0.068569 | 0.057972 | -0.009073 | 0.007324 | -0.003385 | 0.001577 | 0.002584 | 0.003089 | -0.000152 | 0.000000 | 0.000000 | 0.000000 |
| 527.505000 | 0.062844 | 0.084106 | -0.157048 | 0.044961 | -0.030411 | 0.014266 | -0.006663 | -0.011342 | -0.014372 | -0.009718 | 0.000000 | 0.000000 | 0.000000 |
| 299.802000 | 0.042000 | 0.239331 | -0.487941 | 0.153793 | -0.102825 | 0.048562 | -0.022740 | -0.040877 | -0.055544 | -0.089318 | 0.000000 | 0.000000 | 0.000000 |
| 172.658000 | 0.034203 | 0.223657 | -0.614843 | 0.225977 | -0.146158 | 0.069043 | -0.032282 | -0.055255 | -0.070467 | -0.051741 | 0.000000 | 0.000000 | 0.000000 |
| 100.725000 | 0.018594 | 0.129227 | -0.181145 | 0.050234 | -0.037757 | 0.018296 | -0.008666 | -0.018593 | -0.029964 | -0.115031 | 0.000000 | 0.000000 | 0.000000 |
| 59.554500 | 0.010937 | 0.214116 | 0.565845 | -0.515761 | 0.331938 | -0.162941 | 0.076915 | 0.143999 | 0.205711 | 0.425642 | 0.000000 | 0.000000 | 0.000000 |
| 35.717900 | 0.011550 | 0.213832 | 0.673096 | -0.771910 | 0.496880 | -0.242942 | 0.114241 | 0.193991 | 0.243736 | 0.047668 | 0.000000 | 0.000000 | 0.000000 |
| 21.401800 | 0.003209 | 0.076409 | 0.213280 | -0.064998 | 0.043494 | -0.025842 | 0.012935 | 0.036892 | 0.068842 | 0.508921 | 0.000000 | 0.000000 | 0.000000 |
| 12.342400 | 0.001924 | 0.005898 | -0.086028 | 0.840426 | -0.805189 | 0.447293 | -0.216934 | -0.435480 | -0.675081 | -1.792720 | 0.000000 | 0.000000 | 0.000000 |
| 7.319170 | 0.000309 | -0.000905 | -0.078325 | 0.612144 | -0.879899 | 0.519347 | -0.252892 | -0.438425 | -0.535773 | 0.784602 | 1.000000 | 0.000000 | 0.000000 |
| 4.272360 | 0.000387 | -0.000123 | -0.012858 | 0.100242 | 0.276822 | -0.225917 | 0.113140 | 0.226631 | 0.409260 | -1.521830 | 0.000000 | 1.000000 | 0.000000 |
| 2.416550 | -0.000162 | 0.000314 | 0.000276 | -0.015678 | 0.927903 | -0.840652 | 0.450592 | 1.021840 | 1.642850 | 7.306150 | 0.000000 | 0.000000 | 0.000000 |
| 1.370050 | 0.000114 | 0.000097 | 0.000694 | -0.007027 | 0.360264 | -0.539963 | 0.305279 | 0.862309 | 1.408580 | -8.690640 | 0.000000 | 0.000000 | 0.000000 |
| 0.840557 | -0.000063 | 0.000029 | -0.000079 | -0.001513 | 0.050409 | 0.380317 | -0.251511 | -1.853050 | -5.698900 | -0.236670 | 0.000000 | 0.000000 | 0.000000 |
| 0.428443 | 0.000023 | -0.000000 | 0.000076 | -0.001533 | 0.033904 | 0.763132 | -0.588037 | -1.167360 | 2.898350 | 8.534540 | 0.000000 | 0.000000 | 0.000000 |
| 0.218325 | -0.000009 | 0.000003 | -0.000018 | -0.000484 | 0.009992 | 0.262672 | -0.374390 | 1.450810 | 2.034990 | -7.284970 | 0.000000 | 0.000000 | 0.000000 |
| 0.091126 | 0.000003 | -0.000001 | 0.000009 | -0.000070 | 0.001306 | 0.057871 | 0.258037 | 1.147110 | -2.861780 | 1.855200 | 0.000000 | 0.000000 | 0.000000 |
| 0.042334 | -0.000002 | 0.000000 | -0.000003 | -0.000101 | 0.001411 | 0.124993 | 0.724170 | -0.725168 | 0.327065 | 1.486640 | 0.000000 | 0.000000 | 0.000000 |
| 0.018975 | 0.000000 | -0.000000 | 0.000001 | -0.000041 | 0.000619 | 0.047984 | 0.278791 | -0.534818 | 0.882965 | -1.381480 | 0.000000 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)