MOLPRO Basis Query, element=Th, basis=cc-pVQZ-X2C, l=s
Basis Th s cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 57372500.000000 | 0.000391 | 0.001570 | -0.002039 | -0.000373 | 0.000140 | -0.000057 | 0.000020 | -0.000040 | -0.000063 | 0.000075 | -0.000087 | 0.000000 |
| 15274900.000000 | 0.000259 | 0.001042 | -0.001355 | -0.000248 | 0.000093 | -0.000038 | 0.000014 | -0.000026 | -0.000042 | 0.000050 | -0.000058 | 0.000000 |
| 5228720.000000 | 0.000837 | 0.003364 | -0.004376 | -0.000801 | 0.000301 | -0.000122 | 0.000044 | -0.000086 | -0.000134 | 0.000162 | -0.000187 | 0.000000 |
| 1991150.000000 | 0.000853 | 0.003435 | -0.004489 | -0.000826 | 0.000310 | -0.000126 | 0.000045 | -0.000088 | -0.000139 | 0.000167 | -0.000193 | 0.000000 |
| 832943.000000 | 0.001830 | 0.007371 | -0.009650 | -0.001779 | 0.000668 | -0.000271 | 0.000097 | -0.000190 | -0.000298 | 0.000358 | -0.000414 | 0.000000 |
| 370244.000000 | 0.002194 | 0.008865 | -0.011707 | -0.002178 | 0.000817 | -0.000332 | 0.000119 | -0.000233 | -0.000366 | 0.000440 | -0.000509 | 0.000000 |
| 174013.000000 | 0.003979 | 0.016106 | -0.021383 | -0.004001 | 0.001501 | -0.000610 | 0.000219 | -0.000427 | -0.000671 | 0.000804 | -0.000928 | 0.000000 |
| 85351.000000 | 0.005126 | 0.020868 | -0.028138 | -0.005350 | 0.002006 | -0.000815 | 0.000293 | -0.000571 | -0.000898 | 0.001087 | -0.001257 | 0.000000 |
| 43522.400000 | 0.008479 | 0.034662 | -0.047298 | -0.009103 | 0.003412 | -0.001387 | 0.000498 | -0.000971 | -0.001523 | 0.001812 | -0.002089 | 0.000000 |
| 22897.600000 | 0.011165 | 0.046096 | -0.064620 | -0.012769 | 0.004781 | -0.001944 | 0.000698 | -0.001362 | -0.002147 | 0.002626 | -0.003047 | 0.000000 |
| 12365.100000 | 0.016942 | 0.070602 | -0.101638 | -0.020598 | 0.007708 | -0.003134 | 0.001125 | -0.002192 | -0.003430 | 0.004015 | -0.004609 | 0.000000 |
| 6812.390000 | 0.021026 | 0.089339 | -0.135647 | -0.028813 | 0.010769 | -0.004380 | 0.001572 | -0.003071 | -0.004864 | 0.006108 | -0.007131 | 0.000000 |
| 3821.700000 | 0.026499 | 0.114986 | -0.185780 | -0.041545 | 0.015520 | -0.006311 | 0.002266 | -0.004409 | -0.006844 | 0.007623 | -0.008643 | 0.000000 |
| 2187.650000 | 0.024412 | 0.109892 | -0.196493 | -0.047270 | 0.017641 | -0.007180 | 0.002577 | -0.005055 | -0.008152 | 0.011262 | -0.013432 | 0.000000 |
| 1284.520000 | 0.021708 | 0.097576 | -0.172442 | -0.041125 | 0.015352 | -0.006239 | 0.002241 | -0.004307 | -0.006281 | 0.004095 | -0.003735 | 0.000000 |
| 775.146000 | 0.016968 | 0.072296 | -0.046137 | 0.004979 | -0.002057 | 0.000847 | -0.000308 | 0.000459 | -0.000384 | 0.008362 | -0.011884 | 0.000000 |
| 477.944000 | 0.024267 | 0.124620 | 0.109800 | 0.097334 | -0.037700 | 0.015525 | -0.005573 | 0.011229 | 0.020187 | -0.041984 | 0.053988 | 0.000000 |
| 301.081000 | 0.008394 | 0.197331 | 0.294762 | 0.238582 | -0.095012 | 0.039139 | -0.014088 | 0.026859 | 0.037255 | -0.009212 | 0.000450 | 0.000000 |
| 194.725000 | -0.022919 | 0.249517 | 0.317659 | 0.311599 | -0.127300 | 0.052884 | -0.018999 | 0.038496 | 0.070072 | -0.149626 | 0.194350 | 0.000000 |
| 125.764000 | -0.028873 | 0.171742 | 0.246143 | 0.250799 | -0.106937 | 0.044575 | -0.016094 | 0.029434 | 0.032066 | 0.060490 | -0.102807 | 0.000000 |
| 79.566900 | 0.143789 | -0.034676 | 0.003003 | -0.195914 | 0.100994 | -0.043391 | 0.015742 | -0.028108 | -0.024458 | -0.109771 | 0.172095 | 0.000000 |
| 49.492200 | 0.341141 | -0.209626 | -0.135180 | -0.853098 | 0.482307 | -0.213185 | 0.077181 | -0.157563 | -0.283623 | 0.564635 | -0.759679 | 0.000000 |
| 30.215800 | 0.242019 | -0.145799 | -0.107106 | -0.748862 | 0.438215 | -0.193647 | 0.070323 | -0.132444 | -0.165559 | -0.116168 | 0.288386 | 0.000000 |
| 18.217400 | 0.117591 | -0.083912 | -0.054327 | 0.137362 | -0.151836 | 0.067376 | -0.024525 | 0.042706 | 0.004222 | 0.506539 | -0.838138 | 0.000000 |
| 11.330200 | 0.138923 | -0.108765 | -0.078493 | 0.745338 | -0.891331 | 0.481098 | -0.179371 | 0.382646 | 0.767602 | -2.026310 | 3.253790 | 0.000000 |
| 7.026450 | 0.083395 | -0.067016 | -0.043907 | 0.462006 | -0.783431 | 0.440088 | -0.165296 | 0.332495 | 0.379903 | 1.181860 | -3.223770 | 0.000000 |
| 4.317940 | 0.016785 | -0.012976 | -0.010610 | 0.104736 | 0.228357 | -0.186673 | 0.072429 | -0.214944 | -0.317573 | -1.620870 | 4.965080 | 0.000000 |
| 2.570350 | 0.000787 | -0.001273 | 0.000163 | 0.033341 | 0.870955 | -0.781315 | 0.319496 | -0.643565 | -1.254200 | 5.483630 | -14.934800 | 0.000000 |
| 1.539770 | 0.000209 | -0.000086 | -0.000860 | 0.014620 | 0.464149 | -0.625634 | 0.279659 | -0.907515 | -2.044000 | -2.149670 | 21.055300 | 0.000000 |
| 0.937731 | -0.000075 | -0.000123 | 0.000417 | 0.002669 | 0.077189 | 0.158016 | -0.097441 | 1.052130 | 4.386030 | -8.018270 | -8.860720 | 0.000000 |
| 0.535163 | 0.000063 | 0.000046 | -0.000285 | 0.000072 | 0.011965 | 0.698316 | -0.381755 | 1.132590 | 1.007980 | 9.447750 | -10.568400 | 0.000000 |
| 0.314682 | -0.000031 | -0.000042 | 0.000191 | 0.000175 | 0.002941 | 0.501399 | -0.443164 | 0.167371 | -3.450660 | -0.102573 | 15.822400 | 0.000000 |
| 0.185945 | 0.000026 | 0.000021 | -0.000123 | -0.000051 | 0.001790 | 0.122205 | -0.157208 | -0.751589 | -1.128070 | -4.422310 | -4.445240 | 0.000000 |
| 0.109802 | -0.000013 | -0.000012 | 0.000065 | 0.000040 | -0.000260 | 0.017185 | 0.163852 | -1.224030 | 1.712320 | -0.945216 | -6.233330 | 0.000000 |
| 0.062807 | 0.000005 | 0.000005 | -0.000026 | -0.000015 | 0.000246 | 0.023279 | 0.570288 | -0.187553 | 1.486640 | 3.600530 | 4.705070 | 0.000000 |
| 0.032057 | -0.000001 | -0.000001 | 0.000007 | 0.000006 | 0.000043 | 0.019897 | 0.503800 | 0.953216 | -0.905040 | -0.493732 | 0.702762 | 0.000000 |
| 0.015921 | 0.000000 | 0.000000 | -0.000001 | -0.000001 | 0.000021 | 0.003148 | 0.081828 | 0.336574 | -0.523008 | -0.876897 | -1.381370 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
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