MOLPRO Basis Query, element=Fe, basis=def2-SVP-JFIT, l=s
Basis Fe s def2-SVP-JFIT
Primitives | Contractions... |
22231.167535 | 1.546379 |
10088.625256 | 0.561673 |
4961.442023 | 4.830656 |
2333.977889 | 7.216278 |
1195.058157 | 13.766748 |
605.754899 | 17.395304 |
312.984985 | 13.597454 |
146.227042 | -0.105288 |
73.157443 | -1.518694 |
37.190522 | 16.495422 |
18.727062 | 11.268589 |
9.864836 | -5.112729 |
4.992125 | 0.000000 |
2.531276 | 0.000000 |
1.232177 | 0.000000 |
0.626571 | 0.000000 |
0.321293 | 0.000000 |
0.162797 | 0.000000 |
0.080872 | 0.000000 |
Comment: F. Weigend: PCCP 8, 1057 (2006)