MOLPRO Basis Query, element=Md, basis=cc-pVTZ-DK3, l=s
Basis Md s cc-pVTZ-DK3
| Primitives | Contractions... |
|---|
| 54906039.000000 | 0.003404 | -0.001769 | 0.001433 | -0.000196 | 0.000221 | -0.000100 | 0.000037 | 0.000082 | -0.000112 | -0.000143 | 0.000000 |
| 14609449.000000 | 0.002803 | -0.001455 | 0.001179 | -0.000162 | 0.000182 | -0.000082 | 0.000030 | 0.000068 | -0.000092 | -0.000117 | 0.000000 |
| 4985944.700000 | 0.008118 | -0.004221 | 0.003422 | -0.000469 | 0.000527 | -0.000239 | 0.000088 | 0.000197 | -0.000267 | -0.000340 | 0.000000 |
| 1887670.600000 | 0.009496 | -0.004946 | 0.004013 | -0.000551 | 0.000619 | -0.000281 | 0.000103 | 0.000231 | -0.000313 | -0.000399 | 0.000000 |
| 783846.340000 | 0.018622 | -0.009739 | 0.007916 | -0.001089 | 0.001222 | -0.000554 | 0.000204 | 0.000455 | -0.000619 | -0.000789 | 0.000000 |
| 345055.320000 | 0.024150 | -0.012708 | 0.010361 | -0.001430 | 0.001602 | -0.000726 | 0.000268 | 0.000597 | -0.000812 | -0.001033 | 0.000000 |
| 160277.270000 | 0.040503 | -0.021493 | 0.017594 | -0.002439 | 0.002727 | -0.001237 | 0.000456 | 0.001016 | -0.001383 | -0.001765 | 0.000000 |
| 77493.768000 | 0.053943 | -0.029021 | 0.023915 | -0.003337 | 0.003720 | -0.001687 | 0.000622 | 0.001389 | -0.001884 | -0.002394 | 0.000000 |
| 38865.309000 | 0.082861 | -0.045344 | 0.037671 | -0.005302 | 0.005890 | -0.002672 | 0.000985 | 0.002193 | -0.002991 | -0.003829 | 0.000000 |
| 20086.035000 | 0.108327 | -0.060921 | 0.051263 | -0.007306 | 0.008071 | -0.003659 | 0.001350 | 0.003020 | -0.004080 | -0.005158 | 0.000000 |
| 10670.680000 | 0.151013 | -0.087764 | 0.074997 | -0.010870 | 0.011930 | -0.005413 | 0.001995 | 0.004426 | -0.006080 | -0.007850 | 0.000000 |
| 5803.993000 | 0.177162 | -0.108062 | 0.094370 | -0.013961 | 0.015177 | -0.006878 | 0.002538 | 0.005715 | -0.007629 | -0.009498 | 0.000000 |
| 3221.823200 | 0.198896 | -0.126031 | 0.111910 | -0.016876 | 0.018232 | -0.008280 | 0.003049 | 0.006682 | -0.009399 | -0.012483 | 0.000000 |
| 1814.467700 | 0.163641 | -0.097914 | 0.083242 | -0.011716 | 0.012982 | -0.005864 | 0.002171 | 0.005088 | -0.006266 | -0.006949 | 0.000000 |
| 1030.369500 | 0.109913 | -0.008449 | -0.029350 | 0.011698 | -0.009236 | 0.004160 | -0.001556 | -0.003983 | 0.004151 | 0.003332 | 0.000000 |
| 584.672490 | 0.056197 | 0.160089 | -0.294767 | 0.079372 | -0.070063 | 0.031981 | -0.011764 | -0.025347 | 0.037204 | 0.051924 | 0.000000 |
| 335.939730 | 0.059329 | 0.253305 | -0.567891 | 0.175209 | -0.148614 | 0.067616 | -0.025062 | -0.058135 | 0.074336 | 0.087841 | 0.000000 |
| 194.365650 | 0.037688 | 0.188505 | -0.494739 | 0.171955 | -0.144389 | 0.066594 | -0.024444 | -0.051019 | 0.079884 | 0.119004 | 0.000000 |
| 112.069350 | 0.020737 | 0.145461 | 0.158912 | -0.162797 | 0.122936 | -0.058645 | 0.021413 | 0.040408 | -0.076079 | -0.130033 | 0.000000 |
| 67.329618 | 0.010004 | 0.225042 | 0.746265 | -0.709270 | 0.567266 | -0.269899 | 0.101214 | 0.248614 | -0.313148 | -0.386574 | 0.000000 |
| 39.952941 | 0.010537 | 0.145579 | 0.516108 | -0.540159 | 0.438828 | -0.215189 | 0.078987 | 0.151513 | -0.275882 | -0.440241 | 0.000000 |
| 23.427317 | 0.001080 | 0.031945 | 0.015967 | 0.408047 | -0.409698 | 0.217255 | -0.079328 | -0.149771 | 0.391947 | 0.887182 | 0.000000 |
| 14.431121 | 0.004633 | 0.004616 | -0.125427 | 0.800838 | -1.195960 | 0.719980 | -0.282802 | -0.758781 | 0.806785 | 0.563143 | 0.000000 |
| 8.832191 | -0.000137 | 0.002697 | -0.053987 | 0.329822 | -0.426397 | 0.228180 | -0.078313 | -0.058152 | 0.503843 | 1.568990 | 0.000000 |
| 5.190783 | 0.000988 | -0.000042 | -0.005100 | 0.062304 | 0.765874 | -0.697880 | 0.271348 | 0.611275 | -1.855820 | -5.407960 | 0.000000 |
| 3.119811 | -0.000546 | 0.000519 | -0.000571 | 0.022999 | 0.725272 | -0.808401 | 0.365473 | 1.484050 | -1.583990 | 0.227615 | 0.000000 |
| 1.856006 | 0.000327 | -0.000098 | 0.000259 | 0.007167 | 0.196565 | -0.147737 | 0.032399 | -0.999064 | 2.288790 | 8.442940 | 0.000000 |
| 1.077469 | -0.000151 | 0.000083 | -0.000159 | 0.000378 | 0.033176 | 0.563837 | -0.255062 | -1.112920 | 2.696680 | -6.187130 | 0.000000 |
| 0.586128 | 0.000058 | -0.000025 | 0.000040 | 0.000352 | 0.021682 | 0.649132 | -0.460437 | -0.575644 | -3.489980 | -2.271960 | 0.000000 |
| 0.301966 | -0.000018 | 0.000010 | -0.000024 | 0.000040 | 0.006462 | 0.194255 | -0.209872 | 1.389950 | -0.228603 | 4.401930 | 0.000000 |
| 0.096208 | 0.000005 | -0.000002 | 0.000005 | 0.000009 | 0.000764 | 0.055408 | 0.416068 | 0.887280 | 2.106990 | -1.878610 | 0.000000 |
| 0.046254 | -0.000003 | 0.000001 | -0.000004 | -0.000008 | 0.000751 | 0.068756 | 0.601365 | -0.771335 | -0.693249 | -0.399064 | 0.000000 |
| 0.021372 | 0.000001 | -0.000000 | 0.000001 | 0.000001 | 0.000266 | 0.022805 | 0.193819 | -0.430399 | -0.657744 | 0.972988 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
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