MOLPRO Basis Query, element=Tb, basis=cc-pwCVDZ-DK3, l=s
Basis Tb s cc-pwCVDZ-DK3
Primitives | Contractions... |
58967400.000000 | 0.000371 | -0.000198 | 0.000111 | -0.000025 | 0.000014 | -0.000006 | 0.000013 | 0.000000 | 0.000000 |
13543800.000000 | 0.000553 | -0.000295 | 0.000166 | -0.000038 | 0.000020 | -0.000010 | 0.000020 | 0.000000 | 0.000000 |
3852947.000000 | 0.001443 | -0.000771 | 0.000434 | -0.000099 | 0.000053 | -0.000025 | 0.000052 | 0.000000 | 0.000000 |
1206438.000000 | 0.002840 | -0.001520 | 0.000858 | -0.000196 | 0.000104 | -0.000050 | 0.000102 | 0.000000 | 0.000000 |
409462.100000 | 0.005925 | -0.003180 | 0.001798 | -0.000410 | 0.000219 | -0.000105 | 0.000213 | 0.000000 | 0.000000 |
148133.300000 | 0.011653 | -0.006290 | 0.003571 | -0.000816 | 0.000435 | -0.000209 | 0.000427 | 0.000000 | 0.000000 |
56696.400000 | 0.023055 | -0.012548 | 0.007161 | -0.001641 | 0.000874 | -0.000419 | 0.000846 | 0.000000 | 0.000000 |
22797.030000 | 0.044887 | -0.024817 | 0.014329 | -0.003290 | 0.001752 | -0.000841 | 0.001739 | 0.000000 | 0.000000 |
9578.256000 | 0.086452 | -0.048995 | 0.028709 | -0.006648 | 0.003533 | -0.001695 | 0.003380 | 0.000000 | 0.000000 |
4184.537000 | 0.157463 | -0.093632 | 0.056702 | -0.013216 | 0.007035 | -0.003376 | 0.007106 | 0.000000 | 0.000000 |
1892.784000 | 0.249154 | -0.161291 | 0.102430 | -0.024481 | 0.012954 | -0.006217 | 0.012070 | 0.000000 | 0.000000 |
883.025200 | 0.283081 | -0.215594 | 0.150302 | -0.036736 | 0.019514 | -0.009362 | 0.020710 | 0.000000 | 0.000000 |
421.764800 | 0.176608 | -0.135523 | 0.094691 | -0.024331 | 0.012637 | -0.006077 | 0.008624 | 0.000000 | 0.000000 |
193.287800 | 0.077526 | 0.189286 | -0.256084 | 0.083496 | -0.042757 | 0.020591 | -0.032410 | 0.000000 | 0.000000 |
96.848940 | 0.081997 | 0.393668 | -0.718495 | 0.262078 | -0.136398 | 0.065581 | -0.160050 | 0.000000 | 0.000000 |
49.344050 | 0.046925 | 0.211229 | -0.389252 | 0.173272 | -0.087646 | 0.042604 | -0.041369 | 0.000000 | 0.000000 |
23.464660 | 0.034473 | 0.221320 | 0.720025 | -0.628577 | 0.329286 | -0.161709 | 0.254397 | 0.000000 | 0.000000 |
12.169440 | 0.026317 | 0.169288 | 0.660742 | -0.714048 | 0.404184 | -0.199120 | 0.634033 | 0.000000 | 0.000000 |
5.275794 | 0.002022 | 0.013145 | 0.014258 | 0.730373 | -0.540795 | 0.279209 | -1.230310 | 1.000000 | 0.000000 |
2.557784 | -0.000878 | -0.007160 | -0.056844 | 0.713730 | -0.677959 | 0.375785 | -0.180874 | 0.000000 | 0.000000 |
0.748444 | -0.000011 | -0.000026 | -0.003370 | 0.088969 | 0.705269 | -0.494902 | 2.446970 | 0.000000 | 0.000000 |
0.330108 | -0.000028 | -0.000269 | -0.001323 | 0.024684 | 0.461462 | -0.473840 | -1.969220 | 0.000000 | 0.000000 |
0.054117 | 0.000002 | 0.000023 | -0.000114 | 0.006690 | 0.203223 | 0.788920 | -0.622438 | 0.000000 | 0.000000 |
0.022560 | -0.000002 | -0.000023 | -0.000057 | 0.000724 | 0.077879 | 0.347111 | 1.022350 | 0.000000 | 1.000000 |
Comment: Q. Lu and K.A. Peterson, J. Chem. Phys. 145, 054111 (2016)
|