MOLPRO Basis Query, element=Ba, basis=aug-cc-pVQZ-X2C, l=d
Basis Ba d aug-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 34145.262000 | 0.000007 | -0.000003 | 0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 8451.033300 | 0.000050 | -0.000022 | 0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2921.844300 | 0.000286 | -0.000126 | 0.000023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1204.590100 | 0.001361 | -0.000605 | 0.000112 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 554.334770 | 0.005545 | -0.002471 | 0.000459 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 275.208830 | 0.018991 | -0.008527 | 0.001585 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 143.921160 | 0.053756 | -0.024331 | 0.004531 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 78.152800 | 0.124580 | -0.057381 | 0.010700 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 43.580279 | 0.225571 | -0.103553 | 0.019316 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 24.626776 | 0.308406 | -0.137127 | 0.025461 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.099552 | 0.289201 | -0.101717 | 0.018044 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 8.083892 | 0.157221 | 0.074190 | -0.018849 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 4.581708 | 0.041244 | 0.299939 | -0.064812 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2.564755 | 0.003617 | 0.398809 | -0.087847 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.411732 | 0.000161 | 0.281057 | -0.049166 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.745219 | -0.000078 | 0.097453 | 0.077119 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.352254 | -0.000004 | 0.010731 | 0.247977 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.150848 | -0.000006 | -0.000050 | 0.382698 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.061836 | 0.000002 | 0.000092 | 0.396252 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.024632 | -0.000001 | -0.000029 | 0.174124 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.009850 | 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)
| 