MOLPRO Basis Query, element=Md, basis=cc-pVQZ-DK3, l=d
Basis Md d cc-pVQZ-DK3
| Primitives | Contractions... |
|---|
| 865406.370000 | 0.000002 | -0.000001 | 0.000001 | 0.000000 | -0.000000 | 0.000000 | -0.000000 | -0.000001 | 0.000000 |
| 198633.280000 | 0.000012 | -0.000005 | 0.000003 | 0.000001 | -0.000002 | 0.000002 | -0.000002 | -0.000002 | 0.000000 |
| 61379.966000 | 0.000055 | -0.000024 | 0.000014 | 0.000003 | -0.000007 | 0.000009 | -0.000010 | -0.000014 | 0.000000 |
| 22335.285000 | 0.000218 | -0.000097 | 0.000056 | 0.000013 | -0.000028 | 0.000039 | -0.000038 | -0.000029 | 0.000000 |
| 9139.061800 | 0.000810 | -0.000361 | 0.000209 | 0.000049 | -0.000104 | 0.000130 | -0.000144 | -0.000216 | 0.000000 |
| 4100.298300 | 0.002824 | -0.001263 | 0.000732 | 0.000173 | -0.000366 | 0.000504 | -0.000501 | -0.000354 | 0.000000 |
| 1975.845700 | 0.009233 | -0.004162 | 0.002410 | 0.000569 | -0.001201 | 0.001492 | -0.001658 | -0.002487 | 0.000000 |
| 1006.647500 | 0.027433 | -0.012472 | 0.007228 | 0.001704 | -0.003614 | 0.004980 | -0.004954 | -0.003571 | 0.000000 |
| 535.592810 | 0.071839 | -0.033206 | 0.019239 | 0.004545 | -0.009595 | 0.011907 | -0.013261 | -0.019945 | 0.000000 |
| 295.182560 | 0.158046 | -0.074177 | 0.043023 | 0.010154 | -0.021547 | 0.029940 | -0.029548 | -0.019561 | 0.000000 |
| 166.869200 | 0.272882 | -0.127232 | 0.073728 | 0.017429 | -0.036817 | 0.044492 | -0.051215 | -0.087229 | 0.000000 |
| 96.201477 | 0.340279 | -0.144217 | 0.083114 | 0.019509 | -0.041652 | 0.063750 | -0.058779 | -0.002136 | 0.000000 |
| 56.173568 | 0.257033 | -0.020618 | 0.004919 | 0.000550 | -0.000203 | -0.017631 | 0.000404 | -0.132920 | 0.000000 |
| 32.902477 | 0.082718 | 0.240414 | -0.154473 | -0.038462 | 0.081465 | -0.082056 | 0.137463 | 0.430333 | 0.000000 |
| 19.219228 | -0.028903 | 0.438139 | -0.286602 | -0.070698 | 0.155764 | -0.268850 | 0.215511 | -0.237452 | 0.000000 |
| 11.253174 | -0.036089 | 0.334696 | -0.143580 | -0.031463 | 0.059270 | 0.018327 | 0.127341 | 1.060420 | 0.000000 |
| 6.510694 | -0.011901 | 0.108080 | 0.263151 | 0.083383 | -0.177024 | 0.131585 | -0.553927 | -2.621090 | 0.000000 |
| 3.660128 | -0.000995 | 0.009882 | 0.490759 | 0.150328 | -0.394139 | 1.092910 | -1.094920 | 1.759980 | 0.000000 |
| 1.995459 | 0.000187 | -0.000827 | 0.338146 | 0.079286 | -0.154271 | -1.071730 | 2.816040 | 1.168440 | 0.000000 |
| 1.035200 | 0.000068 | -0.000378 | 0.101265 | -0.118633 | 0.787040 | -0.786629 | -1.930220 | -2.936430 | 0.000000 |
| 0.480982 | 0.000004 | -0.000023 | 0.009754 | -0.325091 | 0.405620 | 1.206900 | -0.172721 | 2.775470 | 0.000000 |
| 0.211990 | -0.000000 | -0.000002 | 0.000433 | -0.406975 | -0.395814 | 0.078731 | 1.273520 | -1.618930 | 0.000000 |
| 0.089786 | -0.000000 | 0.000003 | 0.000077 | -0.316751 | -0.387877 | -0.504670 | -0.686917 | 0.128136 | 0.000000 |
| 0.036118 | -0.000000 | -0.000000 | 0.000009 | -0.106911 | -0.123479 | -0.141637 | -0.272672 | 0.567336 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)