MOLPRO Basis Query, element=I, basis=ECP28oldMDF_AV5Z, l=s
Basis I s ECP28oldMDF_AV5Z
| Primitives | Contractions... |
|---|
| 42686.500000 | 0.000013 | -0.000006 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6421.040000 | 0.000099 | -0.000048 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1458.750000 | 0.000474 | -0.000225 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 408.860000 | 0.001458 | -0.000715 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 119.343000 | 0.002682 | -0.001230 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 29.792500 | -0.057740 | 0.023685 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 18.611800 | 0.349438 | -0.155685 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 11.591400 | -0.385693 | 0.197182 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.533530 | -0.627942 | 0.267440 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 4.074060 | 0.250862 | -0.132807 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2.142750 | 0.771649 | -0.466020 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.188540 | 0.451676 | -0.457547 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.584654 | 0.053826 | 0.099069 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.320383 | -0.003308 | 0.599316 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.159234 | 0.001573 | 0.518891 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.075530 | -0.000143 | 0.107965 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.030500 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: aug-cc-pV5Z (17s14p14d4f3g2h)/[8s8p6d4f3g2h] basis set for ECP28oldMDF by K.A. Peterson et al, Ref 36.