MOLPRO Basis Query, element=Po, basis=aug-cc-pVQZ-DK, l=s
Basis Po s aug-cc-pVQZ-DK
Primitives | Contractions... |
827202910.000000 | 0.000239 | -0.000095 | 0.000046 | -0.000023 | -0.000011 | 0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
241441220.000000 | 0.000183 | -0.000073 | 0.000035 | -0.000018 | -0.000008 | 0.000003 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
76967058.000000 | 0.000646 | -0.000257 | 0.000124 | -0.000063 | -0.000029 | 0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
26375369.000000 | 0.000956 | -0.000380 | 0.000184 | -0.000093 | -0.000043 | 0.000016 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
9589129.400000 | 0.001975 | -0.000787 | 0.000380 | -0.000193 | -0.000089 | 0.000032 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3659371.400000 | 0.003302 | -0.001318 | 0.000637 | -0.000323 | -0.000148 | 0.000054 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1453467.300000 | 0.006004 | -0.002405 | 0.001163 | -0.000590 | -0.000271 | 0.000099 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
596977.150000 | 0.010205 | -0.004110 | 0.001989 | -0.001010 | -0.000464 | 0.000169 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
252345.430000 | 0.017779 | -0.007221 | 0.003499 | -0.001778 | -0.000817 | 0.000298 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
109418.790000 | 0.030229 | -0.012437 | 0.006039 | -0.003069 | -0.001410 | 0.000514 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
48568.469000 | 0.051722 | -0.021706 | 0.010577 | -0.005382 | -0.002474 | 0.000902 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
22045.323000 | 0.086900 | -0.037615 | 0.018424 | -0.009381 | -0.004311 | 0.001571 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
10228.922000 | 0.142455 | -0.064752 | 0.032001 | -0.016345 | -0.007523 | 0.002744 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
4852.404500 | 0.216326 | -0.106318 | 0.053272 | -0.027266 | -0.012543 | 0.004572 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2354.306400 | 0.278058 | -0.153955 | 0.079002 | -0.040774 | -0.018829 | 0.006873 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1168.713100 | 0.250901 | -0.154359 | 0.080839 | -0.041725 | -0.019196 | 0.006992 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
593.661660 | 0.117188 | 0.002655 | -0.013416 | 0.008303 | 0.003870 | -0.001398 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
308.448640 | 0.016296 | 0.346981 | -0.286147 | 0.167338 | 0.079997 | -0.029432 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
163.733540 | 0.001017 | 0.508495 | -0.539813 | 0.333522 | 0.160360 | -0.058906 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
88.606441 | -0.000573 | 0.242473 | -0.219362 | 0.148635 | 0.076480 | -0.028722 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
48.717356 | 0.000441 | 0.027996 | 0.618614 | -0.648782 | -0.365974 | 0.139471 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
27.080644 | -0.000393 | 0.001118 | 0.642915 | -0.884393 | -0.512901 | 0.195037 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
15.118113 | 0.000289 | -0.000352 | 0.139380 | 0.193498 | 0.149866 | -0.056372 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
8.403081 | -0.000187 | 0.000000 | 0.012407 | 0.940885 | 0.978104 | -0.433317 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
4.599872 | 0.000114 | -0.000054 | -0.002233 | 0.395371 | 0.551558 | -0.249403 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2.446809 | -0.000062 | 0.000031 | 0.001406 | 0.016681 | -0.792752 | 0.484952 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.233519 | 0.000030 | -0.000005 | -0.000867 | 0.005435 | -0.766788 | 0.658193 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.522326 | -0.000020 | 0.000006 | 0.000553 | -0.002707 | -0.098999 | -0.005973 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.314539 | 0.000015 | -0.000004 | -0.000404 | 0.002008 | 0.017229 | -0.590721 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
0.156952 | -0.000005 | 0.000001 | 0.000139 | -0.000705 | -0.003873 | -0.561476 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
0.073451 | 0.000001 | -0.000000 | -0.000029 | 0.000144 | 0.000546 | -0.143884 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.027395 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: D.H. Bross and K.A. Peterson, Theor. Chem. Acc. 133, 1434(2013)
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