MOLPRO Basis Query, element=Fe, basis=aug-cc-pVTZ-DK, l=s
Basis Fe s aug-cc-pVTZ-DK
| Primitives | Contractions... |
|---|
| 4316265.000000 | 0.000140 | -0.000072 | 0.000017 | -0.000004 | -0.000007 | -0.000012 | 0.000000 | 0.000000 |
| 646342.400000 | 0.000405 | -0.000209 | 0.000049 | -0.000011 | -0.000021 | -0.000036 | 0.000000 | 0.000000 |
| 147089.700000 | 0.001119 | -0.000579 | 0.000135 | -0.000029 | -0.000058 | -0.000099 | 0.000000 | 0.000000 |
| 41661.520000 | 0.002907 | -0.001506 | 0.000352 | -0.000077 | -0.000155 | -0.000263 | 0.000000 | 0.000000 |
| 13590.770000 | 0.007571 | -0.003939 | 0.000923 | -0.000201 | -0.000393 | -0.000664 | 0.000000 | 0.000000 |
| 4905.750000 | 0.019818 | -0.010396 | 0.002452 | -0.000535 | -0.001101 | -0.001869 | 0.000000 | 0.000000 |
| 1912.746000 | 0.050734 | -0.027074 | 0.006451 | -0.001408 | -0.002693 | -0.004542 | 0.000000 | 0.000000 |
| 792.604300 | 0.118729 | -0.065777 | 0.016106 | -0.003518 | -0.007404 | -0.012601 | 0.000000 | 0.000000 |
| 344.806500 | 0.231164 | -0.139082 | 0.035742 | -0.007814 | -0.014484 | -0.024423 | 0.000000 | 0.000000 |
| 155.899900 | 0.319322 | -0.230150 | 0.065528 | -0.014372 | -0.031853 | -0.054652 | 0.000000 | 0.000000 |
| 72.230910 | 0.233648 | -0.229663 | 0.074430 | -0.016383 | -0.025352 | -0.042541 | 0.000000 | 0.000000 |
| 32.725060 | 0.074022 | 0.046091 | -0.025711 | 0.005643 | -0.007887 | -0.015989 | 0.000000 | 0.000000 |
| 15.667620 | 0.090952 | 0.515051 | -0.308645 | 0.071221 | 0.191470 | 0.345964 | 0.000000 | 0.000000 |
| 7.503483 | 0.088898 | 0.487175 | -0.446544 | 0.107800 | 0.148242 | 0.320641 | 0.000000 | 0.000000 |
| 3.312223 | 0.014302 | 0.084380 | 0.148985 | -0.044262 | 0.050761 | -0.202125 | 0.000000 | 0.000000 |
| 1.558471 | -0.000387 | -0.005911 | 0.720395 | -0.225999 | -1.012246 | -2.160673 | 0.000000 | 0.000000 |
| 0.683914 | 0.000008 | -0.000044 | 0.389698 | -0.237628 | 0.342339 | 2.627486 | 0.000000 | 0.000000 |
| 0.146757 | -0.000025 | -0.000487 | 0.019184 | 0.297780 | 1.857266 | -0.475452 | 0.000000 | 0.000000 |
| 0.070583 | 0.000032 | 0.000437 | -0.007023 | 0.565497 | -1.063679 | -1.566613 | 0.000000 | 0.000000 |
| 0.031449 | -0.000001 | -0.000086 | 0.003124 | 0.287937 | -0.616873 | 1.512776 | 1.000000 | 0.000000 |
| 0.014010 | 0.000000 | 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)