MOLPRO Basis Query, element=Fe, basis=aug-cc-pV5Z-DK, l=d
Basis Fe d aug-cc-pV5Z-DK
| Primitives | Contractions... |
|---|
| 518.416000 | 0.000160 | -0.000177 | -0.000254 | -0.000341 | -0.000471 | 0.000000 | 0.000000 |
| 152.819000 | 0.001455 | -0.001610 | -0.002339 | -0.003247 | -0.004007 | 0.000000 | 0.000000 |
| 58.586900 | 0.008031 | -0.008916 | -0.012993 | -0.017683 | -0.024117 | 0.000000 | 0.000000 |
| 25.456400 | 0.029714 | -0.033171 | -0.049109 | -0.069010 | -0.089286 | 0.000000 | 0.000000 |
| 11.786800 | 0.082232 | -0.094002 | -0.144126 | -0.213054 | -0.343634 | 0.000000 | 0.000000 |
| 5.718610 | 0.172117 | -0.199329 | -0.304743 | -0.472949 | -0.512527 | 0.000000 | 0.000000 |
| 2.824170 | 0.260502 | -0.271815 | -0.271725 | 0.084178 | 1.246333 | 0.000000 | 0.000000 |
| 1.379850 | 0.299841 | -0.166429 | 0.252159 | 1.019310 | -0.028305 | 0.000000 | 0.000000 |
| 0.656160 | 0.271106 | 0.158362 | 0.633804 | -0.353899 | -1.483245 | 0.000000 | 0.000000 |
| 0.299609 | 0.181028 | 0.435036 | 0.013228 | -0.858928 | 1.390922 | 0.000000 | 0.000000 |
| 0.129361 | 0.071043 | 0.371944 | -0.600305 | 0.580656 | -0.169891 | 0.000000 | 0.000000 |
| 0.051155 | 0.007823 | 0.079549 | -0.187451 | 0.290451 | -0.521115 | 1.000000 | 0.000000 |
| 0.020230 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: N.B. Balabanov and K.A. Peterson, J. Chem. Phys. 123, 064107 (2005)