MOLPRO Basis Query, element=I, basis=seg-cc-pVQZ-X2C, l=d
Basis I d seg-cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 16063.840000 | 0.000023 | 0.000000 | 0.254127 | 0.000000 | 0.000000 | 0.000000 |
| 4288.374000 | 0.000149 | 0.000000 | 0.453561 | 0.000000 | 0.000000 | 0.000000 |
| 1502.213000 | 0.001032 | 0.000000 | 0.376885 | 0.000000 | 0.000000 | 0.000000 |
| 632.001200 | 0.004169 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 299.528500 | 0.017724 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 153.030400 | 0.046887 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 81.918930 | 0.132933 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 45.157710 | 0.226042 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 25.362050 | 0.399764 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.389950 | 0.331752 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 8.160022 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 4.544609 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2.470968 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.322860 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.689204 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.341767 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.151556 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: G. Schoendorf and J. Boatz, J. Phys. Chem. A 126, 4848 (2002)