MOLPRO Basis Query, element=Th, basis=ROOS_DZP, l=p
Basis Th p ROOS_DZP
Primitives | Contractions... |
24042755.100000 | 0.000044 | -0.000023 | 0.000012 | -0.000006 | 0.000002 | -0.000001 | 0.000002 |
4884304.780000 | 0.000102 | -0.000054 | 0.000028 | -0.000013 | 0.000005 | -0.000002 | 0.000005 |
1199626.700000 | 0.000288 | -0.000152 | 0.000079 | -0.000037 | 0.000015 | -0.000006 | 0.000014 |
333068.771000 | 0.000743 | -0.000393 | 0.000204 | -0.000096 | 0.000039 | -0.000014 | 0.000037 |
101733.942000 | 0.001982 | -0.001054 | 0.000547 | -0.000257 | 0.000105 | -0.000039 | 0.000101 |
33733.536100 | 0.005387 | -0.002882 | 0.001498 | -0.000707 | 0.000287 | -0.000106 | 0.000273 |
12088.434400 | 0.014966 | -0.008090 | 0.004217 | -0.001985 | 0.000807 | -0.000298 | 0.000780 |
4672.818620 | 0.041365 | -0.022707 | 0.011880 | -0.005616 | 0.002279 | -0.000841 | 0.002160 |
1937.628700 | 0.107660 | -0.060809 | 0.032056 | -0.015120 | 0.006153 | -0.002271 | 0.005978 |
852.980390 | 0.237814 | -0.139943 | 0.074539 | -0.035450 | 0.014387 | -0.005309 | 0.013534 |
393.953602 | 0.375693 | -0.231310 | 0.124838 | -0.059033 | 0.024098 | -0.008896 | 0.023863 |
188.848808 | 0.322516 | -0.137258 | 0.061388 | -0.028481 | 0.011233 | -0.004132 | 0.008682 |
91.540245 | 0.098965 | 0.323879 | -0.272246 | 0.146424 | -0.060373 | 0.022346 | -0.053319 |
46.189285 | 0.002361 | 0.584667 | -0.512467 | 0.268032 | -0.113063 | 0.041922 | -0.121754 |
23.240089 | 0.001455 | 0.225407 | 0.126138 | -0.117075 | 0.057548 | -0.021754 | 0.084922 |
11.570132 | -0.000930 | 0.013133 | 0.757088 | -0.659964 | 0.298293 | -0.112137 | 0.252295 |
5.691054 | 0.000453 | 0.001270 | 0.314878 | -0.066792 | 0.017635 | -0.005236 | 0.086543 |
2.659271 | -0.000218 | -0.000661 | 0.011071 | 0.851595 | -0.606698 | 0.242967 | -0.890336 |
1.193512 | 0.000109 | 0.000230 | 0.002393 | 0.353219 | -0.103658 | 0.034402 | 0.415537 |
0.482035 | -0.000051 | -0.000112 | -0.001168 | 0.001281 | 0.814928 | -0.463955 | 1.218093 |
0.192814 | 0.000027 | 0.000060 | 0.000592 | 0.005536 | 0.367446 | -0.161419 | -1.468700 |
0.077126 | -0.000014 | -0.000032 | -0.000316 | -0.003111 | 0.002226 | 0.704127 | -0.162683 |
0.030850 | 0.000007 | 0.000015 | 0.000152 | 0.001493 | 0.006881 | 0.477613 | 0.782410 |
0.012340 | -0.000002 | -0.000005 | -0.000048 | -0.000474 | -0.002325 | 0.003612 | 0.032771 |
Comment: B.O. Roos, R. Lindh, P.-A. Malmqvist, V. Veryazov, and P.-O. Widmark, Chem. Phys.Letters 409, 295 (2005)
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