MOLPRO Basis Query, element=Ba, basis=cc-pVQZ-DK3, l=d
Basis Ba d cc-pVQZ-DK3
| Primitives | Contractions... |
|---|
| 34145.262000 | 0.000007 | -0.000003 | 0.000001 | 0.000000 | 0.000000 | 0.000000 |
| 8451.033300 | 0.000052 | -0.000023 | 0.000004 | 0.000000 | 0.000000 | 0.000000 |
| 2921.844300 | 0.000290 | -0.000128 | 0.000024 | 0.000000 | 0.000000 | 0.000000 |
| 1204.590100 | 0.001366 | -0.000607 | 0.000113 | 0.000000 | 0.000000 | 0.000000 |
| 554.334770 | 0.005549 | -0.002472 | 0.000460 | 0.000000 | 0.000000 | 0.000000 |
| 275.208830 | 0.018993 | -0.008527 | 0.001585 | 0.000000 | 0.000000 | 0.000000 |
| 143.921160 | 0.053755 | -0.024331 | 0.004531 | 0.000000 | 0.000000 | 0.000000 |
| 78.152800 | 0.124578 | -0.057381 | 0.010700 | 0.000000 | 0.000000 | 0.000000 |
| 43.580279 | 0.225569 | -0.103552 | 0.019317 | 0.000000 | 0.000000 | 0.000000 |
| 24.626776 | 0.308406 | -0.137127 | 0.025462 | 0.000000 | 0.000000 | 0.000000 |
| 14.099552 | 0.289202 | -0.101718 | 0.018045 | 0.000000 | 0.000000 | 0.000000 |
| 8.083892 | 0.157222 | 0.074189 | -0.018849 | 0.000000 | 0.000000 | 0.000000 |
| 4.581708 | 0.041245 | 0.299939 | -0.064814 | 0.000000 | 0.000000 | 0.000000 |
| 2.564755 | 0.003617 | 0.398810 | -0.087849 | 0.000000 | 0.000000 | 0.000000 |
| 1.411732 | 0.000161 | 0.281057 | -0.049167 | 0.000000 | 0.000000 | 0.000000 |
| 0.745219 | -0.000078 | 0.097451 | 0.077122 | 0.000000 | 0.000000 | 0.000000 |
| 0.352254 | -0.000004 | 0.010731 | 0.247986 | 0.000000 | 0.000000 | 0.000000 |
| 0.150848 | -0.000006 | -0.000050 | 0.382704 | 1.000000 | 0.000000 | 0.000000 |
| 0.061836 | 0.000002 | 0.000092 | 0.396246 | 0.000000 | 1.000000 | 0.000000 |
| 0.024632 | -0.000001 | -0.000029 | 0.174112 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
| 