MOLPRO Basis Query, element=Ba, basis=cc-pVQZ-PP, l=d
Basis Ba d cc-pVQZ-PP
| Primitives | Contractions... |
|---|
| 4.790070 | 0.004625 | 0.000000 | 0.000000 | 0.000000 |
| 2.673284 | -0.007341 | 0.000000 | 0.000000 | 0.000000 |
| 0.500039 | 0.194312 | 0.000000 | 0.000000 | 0.000000 |
| 0.200229 | 0.380513 | 1.000000 | 0.000000 | 0.000000 |
| 0.076358 | 0.445080 | 0.000000 | 1.000000 | 0.000000 |
| 0.028468 | 0.236473 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
Basis Ba d cc-pVQZ-PP
| Primitives | Contractions... |
|---|
| 4.790070 | 0.004625 | 0.000000 | 0.000000 | 0.000000 |
| 2.673284 | -0.007341 | 0.000000 | 0.000000 | 0.000000 |
| 0.500039 | 0.194312 | 0.000000 | 0.000000 | 0.000000 |
| 0.200229 | 0.380513 | 1.000000 | 0.000000 | 0.000000 |
| 0.076358 | 0.445080 | 0.000000 | 1.000000 | 0.000000 |
| 0.028468 | 0.236473 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
Basis Ba d cc-pVQZ-PP
| Primitives | Contractions... |
|---|
| 4.790070 | 0.004625 | 0.000000 | 0.000000 | 0.000000 |
| 2.673284 | -0.007341 | 0.000000 | 0.000000 | 0.000000 |
| 0.500039 | 0.194312 | 0.000000 | 0.000000 | 0.000000 |
| 0.200229 | 0.380513 | 1.000000 | 0.000000 | 0.000000 |
| 0.076358 | 0.445080 | 0.000000 | 1.000000 | 0.000000 |
| 0.028468 | 0.236473 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
Basis Ba d cc-pVQZ-PP
| Primitives | Contractions... |
|---|
| 4.790070 | 0.004625 | 0.000000 | 0.000000 | 0.000000 |
| 2.673284 | -0.007341 | 0.000000 | 0.000000 | 0.000000 |
| 0.500039 | 0.194312 | 0.000000 | 0.000000 | 0.000000 |
| 0.200229 | 0.380513 | 1.000000 | 0.000000 | 0.000000 |
| 0.076358 | 0.445080 | 0.000000 | 1.000000 | 0.000000 |
| 0.028468 | 0.236473 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
Basis Ba d cc-pVQZ-PP
| Primitives | Contractions... |
|---|
| 4.790070 | 0.004625 | 0.000000 | 0.000000 | 0.000000 |
| 2.673284 | -0.007341 | 0.000000 | 0.000000 | 0.000000 |
| 0.500039 | 0.194312 | 0.000000 | 0.000000 | 0.000000 |
| 0.200229 | 0.380513 | 1.000000 | 0.000000 | 0.000000 |
| 0.076358 | 0.445080 | 0.000000 | 1.000000 | 0.000000 |
| 0.028468 | 0.236473 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
Basis Ba d cc-pVQZ-PP
| Primitives | Contractions... |
|---|
| 4.790070 | 0.004625 | 0.000000 | 0.000000 | 0.000000 |
| 2.673284 | -0.007341 | 0.000000 | 0.000000 | 0.000000 |
| 0.500039 | 0.194312 | 0.000000 | 0.000000 | 0.000000 |
| 0.200229 | 0.380513 | 1.000000 | 0.000000 | 0.000000 |
| 0.076358 | 0.445080 | 0.000000 | 1.000000 | 0.000000 |
| 0.028468 | 0.236473 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
Basis Ba d cc-pVQZ-PP
| Primitives | Contractions... |
|---|
| 4.790070 | 0.004625 | 0.000000 | 0.000000 | 0.000000 |
| 2.673284 | -0.007341 | 0.000000 | 0.000000 | 0.000000 |
| 0.500039 | 0.194312 | 0.000000 | 0.000000 | 0.000000 |
| 0.200229 | 0.380513 | 1.000000 | 0.000000 | 0.000000 |
| 0.076358 | 0.445080 | 0.000000 | 1.000000 | 0.000000 |
| 0.028468 | 0.236473 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
Basis Ba d cc-pVQZ-PP
| Primitives | Contractions... |
|---|
| 4.790070 | 0.004625 | 0.000000 | 0.000000 | 0.000000 |
| 2.673284 | -0.007341 | 0.000000 | 0.000000 | 0.000000 |
| 0.500039 | 0.194312 | 0.000000 | 0.000000 | 0.000000 |
| 0.200229 | 0.380513 | 1.000000 | 0.000000 | 0.000000 |
| 0.076358 | 0.445080 | 0.000000 | 1.000000 | 0.000000 |
| 0.028468 | 0.236473 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)