MOLPRO Basis Query, element=Ba, basis=aug-cc-pVDZ-X2C, l=d
Basis Ba d aug-cc-pVDZ-X2C
| Primitives | Contractions... |
|---|
| 2370.194100 | 0.000678 | -0.000300 | 0.000056 | 0.000000 | 0.000000 |
| 664.271340 | 0.005777 | -0.002581 | 0.000479 | 0.000000 | 0.000000 |
| 248.233390 | 0.030765 | -0.013780 | 0.002557 | 0.000000 | 0.000000 |
| 106.158810 | 0.109812 | -0.050271 | 0.009367 | 0.000000 | 0.000000 |
| 49.099971 | 0.263729 | -0.121154 | 0.022546 | 0.000000 | 0.000000 |
| 23.578181 | 0.396416 | -0.176147 | 0.032753 | 0.000000 | 0.000000 |
| 11.713658 | 0.314186 | -0.072176 | 0.010898 | 0.000000 | 0.000000 |
| 5.860765 | 0.100262 | 0.256467 | -0.056721 | 0.000000 | 0.000000 |
| 2.886699 | 0.008130 | 0.485683 | -0.106285 | 0.000000 | 0.000000 |
| 1.386618 | 0.000228 | 0.343084 | -0.056710 | 0.000000 | 0.000000 |
| 0.606519 | -0.000123 | 0.076686 | 0.151895 | 0.000000 | 0.000000 |
| 0.238058 | 0.000026 | 0.000219 | 0.370173 | 0.000000 | 0.000000 |
| 0.087104 | -0.000013 | 0.000861 | 0.472112 | 0.000000 | 0.000000 |
| 0.031012 | 0.000004 | -0.000281 | 0.280532 | 1.000000 | 0.000000 |
| 0.012400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
| 