MOLPRO Basis Query, element=Fe, basis=cc-pVTZ, l=s
Basis Fe s cc-pVTZ
| Primitives | Contractions... |
|---|
| 4316265.000000 | 0.000008 | -0.000004 | 0.000001 | -0.000000 | -0.000000 | -0.000001 | 0.000000 |
| 646342.400000 | 0.000063 | -0.000032 | 0.000007 | -0.000002 | -0.000003 | -0.000006 | 0.000000 |
| 147089.700000 | 0.000329 | -0.000170 | 0.000039 | -0.000008 | -0.000016 | -0.000028 | 0.000000 |
| 41661.520000 | 0.001387 | -0.000717 | 0.000165 | -0.000036 | -0.000072 | -0.000125 | 0.000000 |
| 13590.770000 | 0.005023 | -0.002604 | 0.000599 | -0.000130 | -0.000246 | -0.000426 | 0.000000 |
| 4905.750000 | 0.016101 | -0.008399 | 0.001942 | -0.000420 | -0.000854 | -0.001499 | 0.000000 |
| 1912.746000 | 0.045900 | -0.024341 | 0.005687 | -0.001232 | -0.002308 | -0.003979 | 0.000000 |
| 792.604300 | 0.113615 | -0.062519 | 0.015013 | -0.003249 | -0.006728 | -0.011857 | 0.000000 |
| 344.806500 | 0.228387 | -0.136593 | 0.034525 | -0.007494 | -0.013662 | -0.023467 | 0.000000 |
| 155.899900 | 0.322116 | -0.231271 | 0.064958 | -0.014101 | -0.030622 | -0.054677 | 0.000000 |
| 72.230910 | 0.238366 | -0.238373 | 0.077162 | -0.016916 | -0.026311 | -0.043938 | 0.000000 |
| 32.725060 | 0.074047 | 0.031238 | -0.018734 | 0.004219 | -0.009760 | -0.023761 | 0.000000 |
| 15.667620 | 0.092142 | 0.508682 | -0.300918 | 0.068338 | 0.180191 | 0.343593 | 0.000000 |
| 7.503483 | 0.093398 | 0.498769 | -0.455466 | 0.109820 | 0.152963 | 0.319296 | 0.000000 |
| 3.312223 | 0.015740 | 0.090336 | 0.128646 | -0.040090 | 0.055054 | -0.134321 | 0.000000 |
| 1.558471 | -0.000419 | -0.006005 | 0.718332 | -0.217474 | -0.955136 | -2.221020 | 0.000000 |
| 0.683914 | 0.000054 | 0.000231 | 0.405174 | -0.246513 | 0.258681 | 2.571142 | 0.000000 |
| 0.146757 | -0.000038 | -0.000564 | 0.021682 | 0.273143 | 1.834049 | -0.229240 | 0.000000 |
| 0.070583 | 0.000043 | 0.000499 | -0.008344 | 0.574832 | -0.933324 | -1.832452 | 0.000000 |
| 0.031449 | -0.000003 | -0.000102 | 0.003659 | 0.301271 | -0.698160 | 1.591333 | 1.000000 |
Comment: N.B. Balabanov and K.A. Peterson, J. Chem. Phys. 123, 064107 (2005)