MOLPRO Basis Query, element=Md, basis=cc-pVQZ-DK3, l=s
Basis Md s cc-pVQZ-DK3
| Primitives | Contractions... |
|---|
| 54914833.000000 | -0.002758 | 0.002636 | 0.001489 | -0.000199 | 0.000221 | -0.000100 | 0.000037 | 0.000082 | -0.000112 | -0.000141 | 0.000152 | 0.000000 |
| 14612927.000000 | -0.002267 | 0.002168 | 0.001224 | -0.000163 | 0.000181 | -0.000082 | 0.000030 | 0.000068 | -0.000092 | -0.000116 | 0.000125 | 0.000000 |
| 4988391.500000 | -0.006581 | 0.006285 | 0.003557 | -0.000476 | 0.000527 | -0.000239 | 0.000088 | 0.000196 | -0.000268 | -0.000337 | 0.000363 | 0.000000 |
| 1889511.900000 | -0.007677 | 0.007323 | 0.004156 | -0.000556 | 0.000616 | -0.000280 | 0.000103 | 0.000230 | -0.000313 | -0.000394 | 0.000424 | 0.000000 |
| 785520.060000 | -0.015133 | 0.014392 | 0.008224 | -0.001103 | 0.001221 | -0.000554 | 0.000204 | 0.000455 | -0.000620 | -0.000780 | 0.000842 | 0.000000 |
| 346579.540000 | -0.019472 | 0.018432 | 0.010644 | -0.001432 | 0.001582 | -0.000718 | 0.000265 | 0.000590 | -0.000804 | -0.001013 | 0.001089 | 0.000000 |
| 161782.120000 | -0.032937 | 0.030982 | 0.018145 | -0.002450 | 0.002704 | -0.001227 | 0.000452 | 0.001008 | -0.001372 | -0.001728 | 0.001868 | 0.000000 |
| 78934.936000 | -0.042827 | 0.039862 | 0.023898 | -0.003248 | 0.003574 | -0.001621 | 0.000598 | 0.001332 | -0.001816 | -0.002290 | 0.002449 | 0.000000 |
| 40221.927000 | -0.066779 | 0.061398 | 0.037812 | -0.005179 | 0.005679 | -0.002577 | 0.000950 | 0.002116 | -0.002879 | -0.003622 | 0.003957 | 0.000000 |
| 21323.719000 | -0.081836 | 0.073652 | 0.047503 | -0.006587 | 0.007182 | -0.003258 | 0.001201 | 0.002679 | -0.003661 | -0.004631 | 0.004826 | 0.000000 |
| 11856.094000 | -0.116446 | 0.102694 | 0.069164 | -0.009714 | 0.010540 | -0.004782 | 0.001763 | 0.003924 | -0.005307 | -0.006634 | 0.007688 | 0.000000 |
| 7075.197600 | -0.102761 | 0.086993 | 0.063774 | -0.009133 | 0.009807 | -0.004449 | 0.001640 | 0.003674 | -0.005124 | -0.006633 | 0.005481 | 0.000000 |
| 4612.890800 | -0.136798 | 0.114699 | 0.085784 | -0.012425 | 0.013333 | -0.006050 | 0.002230 | 0.004933 | -0.006458 | -0.007762 | 0.012031 | 0.000000 |
| 2979.118600 | -0.124819 | 0.099936 | 0.081811 | -0.011981 | 0.012710 | -0.005764 | 0.002125 | 0.004803 | -0.006976 | -0.009427 | 0.004133 | 0.000000 |
| 1829.156600 | -0.147045 | 0.125626 | 0.088987 | -0.012439 | 0.013603 | -0.006172 | 0.002275 | 0.004965 | -0.006053 | -0.006587 | 0.016930 | 0.000000 |
| 1114.617200 | -0.036492 | 0.069598 | -0.016928 | 0.007547 | -0.005966 | 0.002720 | -0.001004 | -0.002051 | 0.001466 | -0.000080 | -0.018687 | 0.000000 |
| 704.386550 | 0.026228 | 0.087515 | -0.140681 | 0.037266 | -0.032053 | 0.014574 | -0.005380 | -0.012432 | 0.019657 | 0.028887 | 0.005094 | 0.000000 |
| 462.648690 | 0.139802 | 0.067944 | -0.342552 | 0.093626 | -0.081537 | 0.037168 | -0.013719 | -0.030049 | 0.036762 | 0.040428 | -0.103938 | 0.000000 |
| 299.738480 | 0.138332 | 0.107964 | -0.501628 | 0.157163 | -0.130863 | 0.059711 | -0.022053 | -0.050336 | 0.074932 | 0.104283 | -0.033167 | 0.000000 |
| 185.496780 | 0.126041 | 0.064750 | -0.435398 | 0.147954 | -0.124492 | 0.057192 | -0.021142 | -0.046182 | 0.055248 | 0.058986 | -0.173435 | 0.000000 |
| 111.232230 | 0.125097 | 0.075855 | 0.154427 | -0.161788 | 0.122896 | -0.057865 | 0.021488 | 0.046412 | -0.050644 | -0.044876 | 0.224589 | 0.000000 |
| 68.905416 | 0.239007 | 0.106165 | 0.672156 | -0.649609 | 0.518969 | -0.248400 | 0.092479 | 0.216596 | -0.330637 | -0.495351 | 0.299326 | 0.000000 |
| 42.413365 | 0.158965 | 0.084606 | 0.515586 | -0.568795 | 0.459069 | -0.220424 | 0.082099 | 0.181798 | -0.211559 | -0.201045 | 0.747912 | 0.000000 |
| 27.196272 | 0.047341 | 0.015565 | 0.081819 | 0.145365 | -0.135228 | 0.062741 | -0.023153 | -0.058199 | 0.047188 | 0.072334 | -1.252270 | 0.000000 |
| 17.342448 | -0.001712 | 0.005662 | -0.088972 | 0.711991 | -0.904459 | 0.530164 | -0.203813 | -0.496340 | 0.811722 | 1.249600 | 0.299218 | 0.000000 |
| 11.226518 | -0.001050 | -0.004312 | -0.092454 | 0.527786 | -0.912660 | 0.552879 | -0.212834 | -0.498805 | 0.576916 | 0.498843 | -3.122200 | 0.000000 |
| 7.116687 | -0.002113 | 0.001586 | -0.018278 | 0.152638 | 0.164523 | -0.185207 | 0.075540 | 0.197850 | -0.157881 | 0.106026 | 3.782460 | 0.000000 |
| 4.245120 | 0.000929 | -0.000920 | -0.004060 | 0.040004 | 0.914006 | -0.886968 | 0.367306 | 1.173610 | -2.515180 | -6.597320 | 6.386080 | 0.000000 |
| 2.516618 | -0.000315 | 0.000687 | 0.001550 | 0.016136 | 0.494114 | -0.594846 | 0.259229 | 0.669715 | -0.110525 | 6.720490 | -16.524900 | 0.000000 |
| 1.470864 | 0.000316 | -0.000384 | -0.001026 | 0.002773 | 0.082522 | 0.187468 | -0.100389 | -1.396480 | 3.618330 | 3.081640 | 11.797100 | 0.000000 |
| 0.881725 | -0.000182 | 0.000253 | 0.000642 | 0.000170 | 0.022823 | 0.580773 | -0.304929 | -0.914015 | 0.063418 | -7.107230 | 3.022970 | 0.000000 |
| 0.524390 | 0.000099 | -0.000131 | -0.000362 | 0.000264 | 0.016123 | 0.496156 | -0.354458 | 0.031675 | -2.499270 | 0.168653 | -9.118700 | 0.000000 |
| 0.295335 | -0.000040 | 0.000055 | 0.000141 | 0.000025 | 0.005277 | 0.150373 | -0.215924 | 0.853109 | -0.813143 | 3.773090 | 2.591420 | 0.000000 |
| 0.142583 | 0.000016 | -0.000022 | -0.000059 | 0.000016 | 0.000433 | 0.026329 | 0.139806 | 0.881866 | 1.624050 | -0.376743 | 4.024710 | 0.000000 |
| 0.073202 | -0.000008 | 0.000011 | 0.000028 | -0.000009 | 0.000727 | 0.061038 | 0.520839 | -0.003296 | 0.744029 | -1.993190 | -3.704190 | 0.000000 |
| 0.036420 | 0.000003 | -0.000004 | -0.000012 | 0.000001 | 0.000623 | 0.055772 | 0.478499 | -0.637589 | -0.702061 | 0.498859 | -0.110589 | 0.000000 |
| 0.018124 | -0.000001 | 0.000001 | 0.000003 | -0.000001 | 0.000128 | 0.010962 | 0.094753 | -0.291774 | -0.473294 | 0.644971 | 1.128160 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)