MOLPRO Basis Query, element=Ba, basis=aug-cc-pwCVTZ-X, l=p
Basis Ba p aug-cc-pwCVTZ-X
| Primitives | Contractions... |
|---|
| 9971900.400000 | 0.000007 | -0.000003 | 0.000002 | 0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1596582.300000 | 0.000024 | -0.000011 | 0.000005 | 0.000002 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 347800.160000 | 0.000081 | -0.000039 | 0.000018 | 0.000006 | 0.000002 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 91216.085000 | 0.000267 | -0.000128 | 0.000058 | 0.000021 | 0.000005 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 27621.928000 | 0.000886 | -0.000425 | 0.000194 | 0.000069 | 0.000017 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 9470.073500 | 0.002944 | -0.001417 | 0.000646 | 0.000231 | 0.000056 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3619.070300 | 0.009586 | -0.004649 | 0.002124 | 0.000760 | 0.000184 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1512.547900 | 0.029468 | -0.014476 | 0.006624 | 0.002369 | 0.000575 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 678.578030 | 0.081304 | -0.040999 | 0.018883 | 0.006773 | 0.001642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 321.745020 | 0.186106 | -0.097745 | 0.045350 | 0.016262 | 0.003947 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 158.915450 | 0.319459 | -0.177749 | 0.083767 | 0.030199 | 0.007324 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 81.005494 | 0.345613 | -0.189736 | 0.088483 | 0.031671 | 0.007695 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 42.078844 | 0.182422 | 0.032088 | -0.035264 | -0.013933 | -0.003444 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 22.072199 | 0.032807 | 0.408752 | -0.277405 | -0.107921 | -0.026324 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 11.894485 | 0.001581 | 0.480898 | -0.368438 | -0.144057 | -0.035393 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.372826 | -0.000135 | 0.180037 | 0.078683 | 0.054307 | 0.014156 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.340278 | -0.000011 | 0.016752 | 0.581046 | 0.308997 | 0.077610 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.741304 | -0.000095 | 0.001415 | 0.449888 | 0.280097 | 0.073156 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.849494 | 0.000035 | -0.000263 | 0.085226 | -0.199994 | -0.063252 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.423143 | -0.000022 | 0.000142 | -0.000162 | -0.573550 | -0.169153 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.204790 | 0.000011 | -0.000082 | 0.001540 | -0.384315 | -0.201710 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.087370 | -0.000005 | 0.000039 | -0.000630 | -0.059191 | 0.115751 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.038908 | 0.000002 | -0.000017 | 0.000228 | 0.000466 | 0.659576 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.016692 | -0.000001 | 0.000005 | -0.000071 | -0.001083 | 0.368563 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.764810 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.211550 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.007160 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
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