MOLPRO Basis Query, element=Fm, basis=cc-pVQZ-X2C, l=s
Basis Fm s cc-pVQZ-X2C
Primitives | Contractions... |
54942225.000000 | 0.002465 | 0.004346 | 0.002077 | -0.000263 | 0.000287 | -0.000130 | 0.000048 | 0.000106 | 0.000146 | -0.000183 | 0.000197 | 0.000000 |
14621536.000000 | 0.001507 | 0.002662 | 0.001276 | -0.000162 | 0.000177 | -0.000080 | 0.000030 | 0.000065 | 0.000090 | -0.000113 | 0.000121 | 0.000000 |
4992070.100000 | 0.004976 | 0.008792 | 0.004214 | -0.000535 | 0.000583 | -0.000265 | 0.000098 | 0.000215 | 0.000297 | -0.000372 | 0.000400 | 0.000000 |
1891659.000000 | 0.004700 | 0.008348 | 0.004024 | -0.000512 | 0.000558 | -0.000253 | 0.000094 | 0.000205 | 0.000284 | -0.000356 | 0.000382 | 0.000000 |
786944.610000 | 0.010254 | 0.018245 | 0.008812 | -0.001123 | 0.001224 | -0.000555 | 0.000205 | 0.000450 | 0.000623 | -0.000780 | 0.000838 | 0.000000 |
347470.230000 | 0.011436 | 0.020560 | 0.010041 | -0.001288 | 0.001400 | -0.000635 | 0.000235 | 0.000515 | 0.000713 | -0.000893 | 0.000958 | 0.000000 |
162279.870000 | 0.021019 | 0.037975 | 0.018645 | -0.002399 | 0.002605 | -0.001181 | 0.000437 | 0.000958 | 0.001326 | -0.001659 | 0.001786 | 0.000000 |
79209.862000 | 0.024742 | 0.045533 | 0.022789 | -0.002963 | 0.003205 | -0.001454 | 0.000538 | 0.001179 | 0.001633 | -0.002048 | 0.002192 | 0.000000 |
40369.396000 | 0.041583 | 0.077289 | 0.039082 | -0.005112 | 0.005519 | -0.002503 | 0.000926 | 0.002029 | 0.002808 | -0.003504 | 0.003796 | 0.000000 |
21397.567000 | 0.046319 | 0.089023 | 0.046517 | -0.006188 | 0.006640 | -0.003011 | 0.001114 | 0.002442 | 0.003391 | -0.004281 | 0.004511 | 0.000000 |
11887.844000 | 0.071772 | 0.139762 | 0.073992 | -0.009934 | 0.010631 | -0.004821 | 0.001784 | 0.003907 | 0.005385 | -0.006626 | 0.007428 | 0.000000 |
7164.051600 | 0.048905 | 0.102753 | 0.058124 | -0.008036 | 0.008497 | -0.003853 | 0.001426 | 0.003132 | 0.004421 | -0.005895 | 0.005411 | 0.000000 |
4709.774800 | 0.084775 | 0.174217 | 0.096966 | -0.013435 | 0.014239 | -0.006458 | 0.002390 | 0.005223 | 0.007067 | -0.008117 | 0.010635 | 0.000000 |
2981.137000 | 0.063138 | 0.143349 | 0.086135 | -0.012226 | 0.012787 | -0.005798 | 0.002147 | 0.004727 | 0.006826 | -0.009760 | 0.007367 | 0.000000 |
1818.876100 | 0.090291 | 0.185542 | 0.102291 | -0.013987 | 0.014954 | -0.006783 | 0.002509 | 0.005459 | 0.007075 | -0.006749 | 0.012689 | 0.000000 |
1125.300200 | 0.050463 | 0.046986 | -0.009683 | 0.005975 | -0.004636 | 0.002114 | -0.000781 | -0.001650 | -0.001386 | -0.002207 | -0.007956 | 0.000000 |
709.096940 | 0.100289 | 0.017039 | -0.117021 | 0.032422 | -0.027554 | 0.012520 | -0.004645 | -0.010355 | -0.016162 | 0.028046 | -0.010921 | 0.000000 |
463.329880 | 0.101246 | -0.124313 | -0.335150 | 0.090599 | -0.078671 | 0.035835 | -0.013272 | -0.028953 | -0.037371 | 0.034717 | -0.069857 | 0.000000 |
300.006710 | 0.158981 | -0.096457 | -0.490163 | 0.153325 | -0.127093 | 0.057945 | -0.021496 | -0.047687 | -0.070461 | 0.106570 | -0.072508 | 0.000000 |
185.663680 | 0.106041 | -0.110135 | -0.462952 | 0.158775 | -0.132207 | 0.060652 | -0.022494 | -0.049111 | -0.062943 | 0.056436 | -0.120727 | 0.000000 |
111.685470 | 0.098489 | -0.094305 | 0.112645 | -0.130528 | 0.097231 | -0.045654 | 0.016994 | 0.036860 | 0.042610 | -0.015253 | 0.109642 | 0.000000 |
68.731250 | 0.138892 | -0.219155 | 0.666752 | -0.634090 | 0.502320 | -0.239913 | 0.089708 | 0.203888 | 0.309061 | -0.493983 | 0.431199 | 0.000000 |
42.189633 | 0.109906 | -0.141127 | 0.539669 | -0.599131 | 0.480405 | -0.230047 | 0.085917 | 0.192225 | 0.245771 | -0.184365 | 0.496416 | 0.000000 |
27.488029 | 0.025091 | -0.050849 | 0.097363 | 0.103578 | -0.096622 | 0.043246 | -0.015751 | -0.046560 | -0.052422 | -0.049867 | -0.643410 | 0.000000 |
17.218265 | 0.011104 | 0.004286 | -0.074755 | 0.687321 | -0.837110 | 0.483807 | -0.186713 | -0.436834 | -0.708129 | 1.343960 | -0.600043 | 0.000000 |
11.285366 | -0.003004 | -0.000140 | -0.099820 | 0.546853 | -0.940136 | 0.570967 | -0.220555 | -0.523232 | -0.666835 | 0.255651 | -1.637410 | 0.000000 |
7.210833 | 0.002542 | 0.003775 | -0.020984 | 0.182287 | 0.045383 | -0.096695 | 0.040273 | 0.122932 | 0.100482 | 0.656053 | 1.194900 | 0.000000 |
4.252968 | -0.000970 | -0.001512 | -0.005532 | 0.042114 | 0.908981 | -0.860702 | 0.357108 | 1.065730 | 2.233920 | -6.509160 | 9.102070 | 0.000000 |
2.520571 | 0.000844 | 0.000774 | 0.002390 | 0.017566 | 0.537058 | -0.653869 | 0.285790 | 0.864584 | 0.838595 | 5.095060 | -17.379200 | 0.000000 |
1.515399 | -0.000446 | -0.000602 | -0.001473 | 0.002932 | 0.097438 | 0.116319 | -0.065614 | -1.222950 | -3.675360 | 4.820260 | 9.494120 | 0.000000 |
0.893518 | 0.000277 | 0.000335 | 0.000869 | 0.000528 | 0.027601 | 0.579653 | -0.305418 | -1.115950 | -0.604959 | -7.163730 | 5.895750 | 0.000000 |
0.524867 | -0.000144 | -0.000182 | -0.000484 | 0.000111 | 0.015925 | 0.530899 | -0.365023 | -0.005169 | 2.511560 | -0.592135 | -9.597940 | 0.000000 |
0.296329 | 0.000065 | 0.000079 | 0.000205 | 0.000097 | 0.006281 | 0.167508 | -0.237488 | 0.763237 | 1.099300 | 3.932350 | 1.624270 | 0.000000 |
0.148335 | -0.000026 | -0.000032 | -0.000085 | -0.000010 | 0.000320 | 0.026310 | 0.109932 | 0.933272 | -1.553740 | -0.024531 | 4.659980 | 0.000000 |
0.074865 | 0.000012 | 0.000015 | 0.000038 | 0.000004 | 0.000787 | 0.059851 | 0.517163 | 0.098074 | -0.941435 | -2.168080 | -3.498460 | 0.000000 |
0.036879 | -0.000005 | -0.000006 | -0.000015 | -0.000004 | 0.000619 | 0.058099 | 0.503290 | -0.661401 | 0.692207 | 0.400175 | -0.461108 | 0.000000 |
0.018180 | 0.000001 | 0.000001 | 0.000003 | 0.000000 | 0.000145 | 0.011925 | 0.104480 | -0.320910 | 0.507188 | 0.704609 | 1.242010 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
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