MOLPRO Basis Query, element=Fe, basis=def2-ASVP-JKFIT, l=s
Basis Fe s def2-ASVP-JKFIT
Primitives | Contractions... |
10075.767577 | 0.140766 |
4123.814128 | 0.167755 |
1755.251041 | 0.533569 |
776.244446 | 0.816914 |
356.288970 | 0.000000 |
169.510590 | 0.000000 |
83.472560 | 0.000000 |
42.473388 | 0.000000 |
22.289446 | 0.000000 |
12.038744 | 0.000000 |
6.676674 | 0.000000 |
3.792651 | 0.000000 |
2.200635 | 0.000000 |
1.300508 | 0.000000 |
0.780370 | 0.000000 |
0.473925 | 0.000000 |
0.290327 | 0.000000 |
0.178790 | 0.000000 |
0.110296 | 0.000000 |
0.068042 | 0.000000 |
Comment: F. Weigend: J. Comput. Chem. 29, 167 (2008) (+diffuse)