MOLPRO Basis Query, element=Ba, basis=augccpwCVDZ-DK3, l=p
Basis Ba p augccpwCVDZ-DK3
| Primitives | Contractions... |
|---|
| 655049.700000 | 0.000087 | -0.000042 | -0.000019 | 0.000007 | 0.000002 | 0.000000 | 0.000000 | 0.000000 |
| 94601.639000 | 0.000387 | -0.000185 | -0.000084 | 0.000030 | 0.000007 | 0.000000 | 0.000000 | 0.000000 |
| 20456.986000 | 0.001642 | -0.000787 | -0.000358 | 0.000128 | 0.000031 | 0.000000 | 0.000000 | 0.000000 |
| 5715.275600 | 0.006719 | -0.003246 | -0.001483 | 0.000530 | 0.000129 | 0.000000 | 0.000000 | 0.000000 |
| 1924.236200 | 0.025686 | -0.012547 | -0.005726 | 0.002053 | 0.000502 | 0.000000 | 0.000000 | 0.000000 |
| 738.387380 | 0.085442 | -0.042971 | -0.019815 | 0.007086 | 0.001726 | 0.000000 | 0.000000 | 0.000000 |
| 310.641290 | 0.221592 | -0.116506 | -0.053943 | 0.019416 | 0.004759 | 0.000000 | 0.000000 | 0.000000 |
| 139.076090 | 0.386801 | -0.218136 | -0.103543 | 0.037133 | 0.009025 | 0.000000 | 0.000000 | 0.000000 |
| 64.889696 | 0.351147 | -0.165497 | -0.071832 | 0.025951 | 0.006467 | 0.000000 | 0.000000 | 0.000000 |
| 30.362640 | 0.109315 | 0.254682 | 0.168876 | -0.066186 | -0.016635 | 0.000000 | 0.000000 | 0.000000 |
| 14.779756 | 0.002708 | 0.592807 | 0.446430 | -0.172591 | -0.041690 | 0.000000 | 0.000000 | 0.000000 |
| 7.284419 | 0.001822 | 0.279902 | 0.050191 | -0.008638 | -0.003497 | 0.000000 | 0.000000 | 0.000000 |
| 3.436693 | -0.000997 | 0.023936 | -0.656661 | 0.365739 | 0.096673 | 0.000000 | 0.000000 | 0.000000 |
| 1.612524 | 0.000351 | 0.000977 | -0.473072 | 0.242651 | 0.055987 | 0.000000 | 0.000000 | 0.000000 |
| 0.586410 | -0.000145 | -0.000173 | -0.044010 | -0.551121 | -0.153263 | 0.000000 | 0.000000 | 0.000000 |
| 0.240751 | 0.000065 | 0.000069 | 0.005149 | -0.594352 | -0.268717 | 0.000000 | 0.000000 | 0.000000 |
| 0.068526 | -0.000022 | -0.000024 | -0.001421 | -0.067243 | 0.316179 | 0.000000 | 0.000000 | 0.000000 |
| 0.025138 | 0.000008 | 0.000010 | 0.000542 | 0.008588 | 0.806820 | 1.000000 | 0.000000 | 0.000000 |
| 0.525100 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.009220 | 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)