MOLPRO Basis Query, element=Mn, basis=aug-cc-pwCVQZ-DK, l=p
Basis Mn p aug-cc-pwCVQZ-DK
Primitives | Contractions... |
35005.120000 | 0.000048 | -0.000017 | -0.000004 | 0.000005 | 0.000011 | -0.000015 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
8279.462000 | 0.000187 | -0.000065 | -0.000015 | 0.000020 | 0.000042 | -0.000060 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2688.465000 | 0.000795 | -0.000276 | -0.000064 | 0.000087 | 0.000189 | -0.000233 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1029.490000 | 0.003045 | -0.001063 | -0.000244 | 0.000331 | 0.000670 | -0.000992 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
438.070800 | 0.010622 | -0.003728 | -0.000862 | 0.001168 | 0.002572 | -0.003107 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
200.615300 | 0.032312 | -0.011496 | -0.002640 | 0.003583 | 0.007212 | -0.010816 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
97.007690 | 0.084106 | -0.030603 | -0.007104 | 0.009614 | 0.021332 | -0.025350 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
48.870520 | 0.177867 | -0.067067 | -0.015449 | 0.020963 | 0.041582 | -0.064751 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
25.292810 | 0.289674 | -0.113703 | -0.026670 | 0.036095 | 0.083296 | -0.090657 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
13.353820 | 0.329516 | -0.137073 | -0.031712 | 0.043260 | 0.081214 | -0.170089 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
7.131786 | 0.210106 | -0.046779 | -0.010638 | 0.014593 | 0.066390 | -0.038624 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.764365 | 0.054309 | 0.193810 | 0.055675 | -0.073917 | -0.254452 | 0.444621 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.946265 | 0.000921 | 0.403280 | 0.110372 | -0.150813 | -0.378838 | 1.059200 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.985455 | -0.002545 | 0.380200 | 0.127988 | -0.178434 | -0.391121 | -1.546378 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.481865 | -0.001386 | 0.165991 | -0.005925 | 0.007863 | 1.172428 | -0.456853 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.188222 | -0.000101 | 0.017606 | -0.340306 | 0.589570 | 0.343329 | 1.798800 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.077540 | -0.000006 | -0.000979 | -0.539978 | 0.481239 | -0.891340 | -1.096230 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.031549 | 0.000000 | 0.000490 | -0.246362 | 0.027834 | -0.043498 | -0.107889 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
7.342300 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
1.934000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.012840 | 0.000000 | 0.000000 | 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)