MOLPRO Basis Query, element=Bk, basis=cc-pwCVTZ-DK3, l=f
Basis Bk f cc-pwCVTZ-DK3
Primitives | Contractions... |
1250.206700 | 0.000870 | -0.000303 | 0.000309 | -0.000361 | 0.000414 | 0.000000 | 0.000000 | 0.000000 |
419.832060 | 0.007630 | -0.002689 | 0.002770 | -0.003331 | 0.003410 | 0.000000 | 0.000000 | 0.000000 |
177.639840 | 0.039036 | -0.013717 | 0.014029 | -0.016472 | 0.018473 | 0.000000 | 0.000000 | 0.000000 |
83.425835 | 0.127445 | -0.045259 | 0.046713 | -0.056219 | 0.057772 | 0.000000 | 0.000000 | 0.000000 |
41.590763 | 0.275970 | -0.095450 | 0.097031 | -0.112388 | 0.128600 | 0.000000 | 0.000000 | 0.000000 |
21.181257 | 0.380141 | -0.119422 | 0.116622 | -0.133303 | 0.104522 | 0.000000 | 0.000000 | 0.000000 |
10.976031 | 0.305867 | -0.039895 | 0.016358 | 0.021079 | -0.005781 | 0.000000 | 0.000000 | 0.000000 |
5.711310 | 0.122586 | 0.163727 | -0.201218 | 0.278575 | -0.467966 | 0.000000 | 0.000000 | 0.000000 |
2.922288 | 0.018719 | 0.338670 | -0.386187 | 0.523825 | -0.342752 | 0.000000 | 0.000000 | 0.000000 |
1.459872 | 0.000745 | 0.363716 | -0.143323 | -0.560391 | 1.435600 | 0.000000 | 0.000000 | 0.000000 |
0.697847 | 0.000134 | 0.266610 | 0.399927 | -0.568599 | -0.968339 | 0.000000 | 0.000000 | 0.000000 |
0.312430 | 0.000024 | 0.132124 | 0.466502 | 0.481923 | -0.331191 | 0.000000 | 0.000000 | 0.000000 |
0.124136 | 0.000011 | 0.031668 | 0.213715 | 0.461319 | 0.784572 | 1.000000 | 0.000000 | 0.000000 |
11.010149 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
5.207886 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)