MOLPRO Basis Query, element=Bk, basis=cc-pVQZ-DK3, l=f
Basis Bk f cc-pVQZ-DK3
Primitives | Contractions... |
2234.456500 | 0.000231 | -0.000081 | 0.000083 | 0.000102 | 0.000112 | -0.000130 | 0.000000 |
743.994920 | 0.002105 | -0.000736 | 0.000753 | 0.000866 | 0.000897 | -0.001575 | 0.000000 |
313.804420 | 0.012106 | -0.004268 | 0.004384 | 0.005323 | 0.005757 | -0.007378 | 0.000000 |
149.550800 | 0.047485 | -0.016708 | 0.017127 | 0.019869 | 0.020603 | -0.034781 | 0.000000 |
75.953585 | 0.132386 | -0.047004 | 0.048382 | 0.058835 | 0.063796 | -0.082080 | 0.000000 |
40.239439 | 0.260177 | -0.089777 | 0.091473 | 0.103939 | 0.106498 | -0.186400 | 0.000000 |
21.637237 | 0.349086 | -0.110198 | 0.107028 | 0.126321 | 0.126145 | -0.066065 | 0.000000 |
11.790539 | 0.298459 | -0.051829 | 0.034339 | -0.001049 | -0.047523 | -0.040795 | 0.000000 |
6.447603 | 0.142924 | 0.113753 | -0.149576 | -0.195932 | -0.207727 | 0.802286 | 0.000000 |
3.486795 | 0.031676 | 0.280572 | -0.324058 | -0.500530 | -0.731356 | 0.002740 | 0.000000 |
1.860679 | 0.002256 | 0.341252 | -0.278140 | 0.079005 | 1.131700 | -1.835890 | 0.000000 |
0.966082 | 0.000262 | 0.288930 | 0.179862 | 0.807340 | 0.203918 | 2.248120 | 0.000000 |
0.481696 | 0.000012 | 0.182903 | 0.446484 | -0.021119 | -1.119970 | -0.977472 | 0.000000 |
0.226458 | 0.000037 | 0.077959 | 0.347729 | -0.520794 | 0.347432 | -0.407797 | 0.000000 |
0.095837 | -0.000001 | 0.015321 | 0.122349 | -0.292069 | 0.543154 | 0.691944 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
|