MOLPRO Basis Query, element=Ba, basis=augccpwCVTZ-DK3, l=d
Basis Ba d augccpwCVTZ-DK3
| Primitives | Contractions... |
|---|
| 7517.671500 | -0.000086 | 0.000038 | 0.000007 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1998.512300 | -0.000701 | 0.000311 | 0.000058 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 726.579390 | -0.004097 | 0.001822 | 0.000338 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 309.447910 | -0.018266 | 0.008191 | 0.001524 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144.739560 | -0.061599 | 0.027881 | 0.005188 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 71.901556 | -0.157484 | 0.072639 | 0.013561 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 37.128344 | -0.286544 | 0.130754 | 0.024343 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 19.707333 | -0.350954 | 0.150591 | 0.027890 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 10.767110 | -0.249154 | 0.036678 | 0.004069 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 5.948374 | -0.088535 | -0.215859 | -0.047903 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.226291 | -0.012310 | -0.407797 | -0.088611 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.731762 | -0.000204 | -0.359129 | -0.075735 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.894108 | -0.000033 | -0.151545 | 0.037469 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.416440 | 0.000053 | -0.020835 | 0.223595 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.174235 | -0.000009 | 0.000078 | 0.381240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.069069 | 0.000005 | -0.000201 | 0.423193 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.026598 | -0.000001 | 0.000063 | 0.206404 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.742340 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.169130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.010640 | 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)
| 