MOLPRO Basis Query, element=Ba, basis=cc-pwCVTZ-DK3, l=p
Basis Ba p cc-pwCVTZ-DK3
| Primitives | Contractions... |
|---|
| 9971900.400000 | 0.000010 | -0.000005 | 0.000002 | 0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1596582.300000 | 0.000030 | -0.000014 | 0.000007 | 0.000002 | 0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 347800.160000 | 0.000097 | -0.000046 | 0.000021 | 0.000007 | 0.000002 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 91216.085000 | 0.000300 | -0.000143 | 0.000065 | 0.000023 | 0.000006 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 27621.928000 | 0.000948 | -0.000454 | 0.000207 | 0.000074 | 0.000018 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 9470.073500 | 0.003035 | -0.001460 | 0.000665 | 0.000238 | 0.000058 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3619.070300 | 0.009670 | -0.004688 | 0.002141 | 0.000767 | 0.000186 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1512.547900 | 0.029499 | -0.014489 | 0.006629 | 0.002372 | 0.000575 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 678.578030 | 0.081291 | -0.040990 | 0.018878 | 0.006771 | 0.001642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 321.745020 | 0.186078 | -0.097728 | 0.045343 | 0.016259 | 0.003946 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 158.915450 | 0.319440 | -0.177738 | 0.083762 | 0.030197 | 0.007324 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 81.005494 | 0.345616 | -0.189742 | 0.088487 | 0.031672 | 0.007696 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 42.078844 | 0.182435 | 0.032066 | -0.035252 | -0.013928 | -0.003443 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 22.072199 | 0.032812 | 0.408737 | -0.277395 | -0.107917 | -0.026323 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 11.894485 | 0.001581 | 0.480910 | -0.368450 | -0.144062 | -0.035394 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.372826 | -0.000135 | 0.180051 | 0.078656 | 0.054295 | 0.014153 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.340278 | -0.000011 | 0.016755 | 0.581038 | 0.308990 | 0.077609 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.741304 | -0.000095 | 0.001415 | 0.449906 | 0.280111 | 0.073160 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.849494 | 0.000035 | -0.000263 | 0.085234 | -0.199975 | -0.063247 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.423143 | -0.000022 | 0.000142 | -0.000163 | -0.573548 | -0.169153 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.204790 | 0.000011 | -0.000082 | 0.001540 | -0.384328 | -0.201715 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.087370 | -0.000005 | 0.000039 | -0.000631 | -0.059198 | 0.115740 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.038908 | 0.000002 | -0.000017 | 0.000228 | 0.000466 | 0.659568 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.016692 | -0.000001 | 0.000005 | -0.000071 | -0.001083 | 0.368580 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.765680 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.211430 | 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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