MOLPRO Basis Query, element=Bk, basis=cc-pVQZ-DK3, l=s
Basis Bk s cc-pVQZ-DK3
| Primitives | Contractions... |
|---|
| 55955481.000000 | -0.000512 | 0.002916 | 0.001119 | -0.000153 | 0.000160 | -0.000073 | 0.000029 | 0.000063 | 0.000080 | -0.000104 | 0.000109 | 0.000000 |
| 14893796.000000 | -0.000431 | 0.002459 | 0.000943 | -0.000129 | 0.000135 | -0.000062 | 0.000025 | 0.000053 | 0.000068 | -0.000088 | 0.000092 | 0.000000 |
| 5089530.700000 | -0.001254 | 0.007126 | 0.002738 | -0.000375 | 0.000393 | -0.000179 | 0.000072 | 0.000153 | 0.000196 | -0.000254 | 0.000268 | 0.000000 |
| 1931433.100000 | -0.001504 | 0.008517 | 0.003281 | -0.000449 | 0.000471 | -0.000214 | 0.000086 | 0.000184 | 0.000235 | -0.000305 | 0.000321 | 0.000000 |
| 804519.940000 | -0.002986 | 0.016779 | 0.006496 | -0.000891 | 0.000933 | -0.000425 | 0.000171 | 0.000364 | 0.000467 | -0.000604 | 0.000637 | 0.000000 |
| 355639.620000 | -0.003979 | 0.022076 | 0.008618 | -0.001185 | 0.001240 | -0.000564 | 0.000227 | 0.000483 | 0.000620 | -0.000803 | 0.000844 | 0.000000 |
| 166148.020000 | -0.006856 | 0.037430 | 0.014769 | -0.002038 | 0.002129 | -0.000969 | 0.000389 | 0.000830 | 0.001064 | -0.001378 | 0.001458 | 0.000000 |
| 81034.416000 | -0.009369 | 0.049783 | 0.020002 | -0.002776 | 0.002892 | -0.001317 | 0.000529 | 0.001128 | 0.001448 | -0.001874 | 0.001958 | 0.000000 |
| 41286.471000 | -0.015038 | 0.077487 | 0.031789 | -0.004441 | 0.004614 | -0.002101 | 0.000844 | 0.001799 | 0.002304 | -0.002983 | 0.003197 | 0.000000 |
| 22031.389000 | -0.019254 | 0.094297 | 0.040071 | -0.005657 | 0.005849 | -0.002663 | 0.001070 | 0.002282 | 0.002938 | -0.003805 | 0.003845 | 0.000000 |
| 12590.425000 | -0.026909 | 0.125937 | 0.055265 | -0.007888 | 0.008123 | -0.003700 | 0.001486 | 0.003165 | 0.004027 | -0.005212 | 0.006000 | 0.000000 |
| 7793.620700 | -0.028440 | 0.122986 | 0.057173 | -0.008289 | 0.008466 | -0.003855 | 0.001548 | 0.003312 | 0.004324 | -0.005608 | 0.004741 | 0.000000 |
| 4844.931500 | -0.045677 | 0.187250 | 0.090625 | -0.013345 | 0.013574 | -0.006185 | 0.002485 | 0.005280 | 0.006633 | -0.008578 | 0.011198 | 0.000000 |
| 2900.909800 | -0.051412 | 0.190487 | 0.099706 | -0.014972 | 0.015056 | -0.006854 | 0.002752 | 0.005906 | 0.007833 | -0.010176 | 0.006847 | 0.000000 |
| 1736.849800 | -0.049616 | 0.190060 | 0.096310 | -0.014299 | 0.014537 | -0.006629 | 0.002665 | 0.005610 | 0.006683 | -0.008592 | 0.016843 | 0.000000 |
| 1071.901900 | -0.004699 | 0.094234 | 0.012306 | 0.001111 | -0.000036 | 0.000043 | -0.000022 | 0.000094 | 0.001158 | -0.001602 | -0.014240 | 0.000000 |
| 685.791030 | 0.054835 | 0.056044 | -0.104465 | 0.027397 | -0.022624 | 0.010318 | -0.004141 | -0.009133 | -0.013651 | 0.018094 | 0.008898 | 0.000000 |
| 439.087520 | 0.153141 | -0.014323 | -0.339355 | 0.090859 | -0.075975 | 0.034847 | -0.014026 | -0.029603 | -0.035308 | 0.045750 | -0.090865 | 0.000000 |
| 272.509480 | 0.189985 | -0.005650 | -0.549579 | 0.170151 | -0.136391 | 0.062539 | -0.025146 | -0.054500 | -0.074358 | 0.098051 | -0.046371 | 0.000000 |
| 164.938670 | 0.137513 | -0.017173 | -0.456478 | 0.156765 | -0.125752 | 0.058168 | -0.023453 | -0.049394 | -0.057770 | 0.074852 | -0.166045 | 0.000000 |
| 97.631860 | 0.152132 | -0.015768 | 0.157505 | -0.163395 | 0.118450 | -0.056172 | 0.022767 | 0.047474 | 0.051205 | -0.065863 | 0.219742 | 0.000000 |
| 60.235310 | 0.267079 | -0.047743 | 0.689743 | -0.671506 | 0.513387 | -0.246145 | 0.099725 | 0.222409 | 0.315941 | -0.452013 | 0.278802 | 0.000000 |
| 36.649388 | 0.187313 | -0.026400 | 0.511384 | -0.561090 | 0.431322 | -0.208594 | 0.084806 | 0.179929 | 0.201157 | -0.241267 | 0.664932 | 0.000000 |
| 22.345039 | 0.041108 | -0.009986 | 0.059888 | 0.239613 | -0.212651 | 0.104730 | -0.042822 | -0.101038 | -0.105963 | 0.211609 | -1.218540 | 0.000000 |
| 14.124439 | -0.004037 | 0.003986 | -0.111367 | 0.775960 | -0.984846 | 0.577357 | -0.241583 | -0.558871 | -0.856017 | 1.266030 | 0.081632 | 0.000000 |
| 8.881384 | -0.003953 | -0.001399 | -0.074926 | 0.459865 | -0.759886 | 0.451781 | -0.189756 | -0.426484 | -0.430650 | 0.389339 | -2.636580 | 0.000000 |
| 5.524504 | -0.000747 | 0.001711 | -0.011754 | 0.097003 | 0.356667 | -0.313219 | 0.137879 | 0.357383 | 0.409439 | -0.522969 | 4.526540 | 0.000000 |
| 3.341217 | 0.000280 | -0.001093 | -0.002061 | 0.025071 | 0.869923 | -0.857406 | 0.390150 | 1.185400 | 2.423670 | -6.289390 | 5.252850 | 0.000000 |
| 2.018349 | 0.000134 | 0.000728 | 0.001239 | 0.008272 | 0.397159 | -0.501249 | 0.241879 | 0.666506 | -0.091182 | 7.762530 | -18.347500 | 0.000000 |
| 1.248969 | 0.000028 | -0.000520 | -0.000810 | 0.002017 | 0.070036 | 0.186920 | -0.113737 | -1.544270 | -3.663770 | 2.504840 | 14.330400 | 0.000000 |
| 0.762749 | 0.000005 | 0.000305 | 0.000495 | -0.000313 | 0.025621 | 0.553593 | -0.312850 | -0.998918 | -0.211881 | -7.348750 | 3.136100 | 0.000000 |
| 0.460146 | 0.000002 | -0.000153 | -0.000267 | 0.000215 | 0.018159 | 0.500693 | -0.384020 | 0.023205 | 2.846470 | -0.085472 | -10.226500 | 0.000000 |
| 0.261883 | 0.000001 | 0.000060 | 0.000098 | -0.000084 | 0.006274 | 0.158848 | -0.230491 | 1.020110 | 0.760734 | 4.321280 | 3.113900 | 0.000000 |
| 0.125304 | -0.000000 | -0.000024 | -0.000041 | 0.000032 | 0.000593 | 0.029715 | 0.126069 | 0.886923 | -1.858040 | -0.654457 | 4.270100 | 0.000000 |
| 0.067217 | 0.000000 | 0.000012 | 0.000021 | -0.000032 | 0.000877 | 0.071085 | 0.509051 | -0.117053 | -0.630673 | -1.989830 | -4.036640 | 0.000000 |
| 0.033963 | 0.000000 | -0.000005 | -0.000008 | -0.000006 | 0.000852 | 0.069518 | 0.494695 | -0.615137 | 0.741512 | 0.529695 | -0.161170 | 0.000000 |
| 0.017053 | 0.000000 | 0.000001 | 0.000002 | -0.000004 | 0.000177 | 0.014408 | 0.103553 | -0.261289 | 0.467237 | 0.659550 | 1.216250 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)