MOLPRO Basis Query, element=Ta, basis=cc-pwCVTZ-DK3, l=p
Basis Ta p cc-pwCVTZ-DK3
Primitives | Contractions... |
274828000.000000 | 0.000003 | -0.000002 | 0.000001 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
47009000.000000 | 0.000007 | -0.000004 | 0.000002 | -0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
9764223.000000 | 0.000022 | -0.000012 | 0.000006 | -0.000002 | 0.000000 | 0.000001 | 0.000001 | 0.000000 | 0.000000 | 0.000000 |
2397151.000000 | 0.000058 | -0.000032 | 0.000015 | -0.000005 | 0.000001 | 0.000002 | 0.000003 | 0.000000 | 0.000000 | 0.000000 |
679199.200000 | 0.000144 | -0.000081 | 0.000037 | -0.000013 | 0.000003 | 0.000005 | 0.000008 | 0.000000 | 0.000000 | 0.000000 |
217498.800000 | 0.000350 | -0.000196 | 0.000089 | -0.000030 | 0.000008 | 0.000012 | 0.000020 | 0.000000 | 0.000000 | 0.000000 |
77294.590000 | 0.000843 | -0.000473 | 0.000216 | -0.000074 | 0.000020 | 0.000030 | 0.000050 | 0.000000 | 0.000000 | 0.000000 |
30005.580000 | 0.002046 | -0.001153 | 0.000527 | -0.000180 | 0.000049 | 0.000073 | 0.000119 | 0.000000 | 0.000000 | 0.000000 |
12551.270000 | 0.005039 | -0.002853 | 0.001307 | -0.000447 | 0.000122 | 0.000181 | 0.000302 | 0.000000 | 0.000000 | 0.000000 |
5591.310000 | 0.012522 | -0.007153 | 0.003286 | -0.001123 | 0.000307 | 0.000455 | 0.000738 | 0.000000 | 0.000000 | 0.000000 |
2626.117000 | 0.030758 | -0.017784 | 0.008206 | -0.002808 | 0.000767 | 0.001139 | 0.001908 | 0.000000 | 0.000000 | 0.000000 |
1289.264000 | 0.071970 | -0.042566 | 0.019773 | -0.006774 | 0.001848 | 0.002742 | 0.004425 | 0.000000 | 0.000000 | 0.000000 |
656.687600 | 0.150056 | -0.091632 | 0.043041 | -0.014775 | 0.004038 | 0.005998 | 0.010122 | 0.000000 | 0.000000 | 0.000000 |
344.768800 | 0.256650 | -0.164110 | 0.078223 | -0.026917 | 0.007344 | 0.010892 | 0.017335 | 0.000000 | 0.000000 | 0.000000 |
185.483000 | 0.317397 | -0.206719 | 0.099294 | -0.034223 | 0.009366 | 0.013929 | 0.024395 | 0.000000 | 0.000000 | 0.000000 |
101.701200 | 0.235771 | -0.089207 | 0.028743 | -0.008889 | 0.002370 | 0.003460 | 0.002475 | 0.000000 | 0.000000 | 0.000000 |
56.533600 | 0.091612 | 0.234019 | -0.181307 | 0.067779 | -0.018528 | -0.027377 | -0.038556 | 0.000000 | 0.000000 | 0.000000 |
31.690240 | 0.028975 | 0.493954 | -0.406936 | 0.156109 | -0.043107 | -0.064287 | -0.120148 | 0.000000 | 0.000000 | 0.000000 |
17.812270 | 0.013916 | 0.326297 | -0.190507 | 0.060965 | -0.016211 | -0.023644 | -0.015787 | 0.000000 | 0.000000 | 0.000000 |
9.976390 | 0.003032 | 0.075515 | 0.356675 | -0.185676 | 0.051612 | 0.075835 | 0.089808 | 0.000000 | 0.000000 | 0.000000 |
5.528581 | 0.000573 | 0.009426 | 0.575194 | -0.326057 | 0.093787 | 0.141560 | 0.312249 | 0.000000 | 0.000000 | 0.000000 |
3.006748 | 0.000121 | 0.002076 | 0.282900 | -0.141149 | 0.037806 | 0.053582 | -0.010144 | 0.000000 | 0.000000 | 0.000000 |
1.589657 | 0.000045 | 0.000388 | 0.032922 | 0.320473 | -0.101694 | -0.147635 | -0.148535 | 0.000000 | 0.000000 | 0.000000 |
0.804477 | -0.000012 | -0.000018 | -0.004436 | 0.545617 | -0.216189 | -0.344625 | -1.217338 | 0.000000 | 0.000000 | 0.000000 |
0.392439 | 0.000004 | 0.000046 | -0.004379 | 0.315605 | -0.126656 | -0.178251 | 1.218200 | 0.000000 | 0.000000 | 0.000000 |
0.160787 | -0.000002 | -0.000007 | -0.000468 | 0.047524 | 0.282675 | 0.684810 | 0.817930 | 0.000000 | 0.000000 | 0.000000 |
0.068289 | 0.000001 | 0.000004 | -0.000064 | -0.001447 | 0.593567 | 0.498396 | -1.168000 | 0.000000 | 0.000000 | 0.000000 |
0.028047 | -0.000000 | -0.000001 | 0.000009 | 0.001038 | 0.294162 | 0.014785 | -0.039786 | 1.000000 | 0.000000 | 0.000000 |
2.270100 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.748800 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database