MOLPRO Basis Query, element=At, basis=aug-cc-pVQZ-DK, l=p
Basis At p aug-cc-pVQZ-DK
| Primitives | Contractions... |
|---|
| 3009211000.000000 | 0.000001 | -0.000001 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 522221500.000000 | 0.000003 | -0.000001 | -0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 106844200.000000 | 0.000008 | -0.000004 | -0.000002 | 0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 25265110.000000 | 0.000022 | -0.000011 | -0.000006 | 0.000003 | 0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6783683.000000 | 0.000053 | -0.000028 | -0.000014 | 0.000006 | 0.000002 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2035811.000000 | 0.000122 | -0.000063 | -0.000032 | 0.000014 | 0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 673402.100000 | 0.000271 | -0.000141 | -0.000072 | 0.000032 | 0.000010 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 242510.600000 | 0.000594 | -0.000311 | -0.000159 | 0.000070 | 0.000022 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 94060.790000 | 0.001304 | -0.000685 | -0.000349 | 0.000154 | 0.000048 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 38921.590000 | 0.002895 | -0.001529 | -0.000780 | 0.000344 | 0.000108 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17040.050000 | 0.006524 | -0.003464 | -0.001769 | 0.000780 | 0.000244 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 7835.884000 | 0.014896 | -0.007989 | -0.004091 | 0.001805 | 0.000565 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3760.587000 | 0.033942 | -0.018438 | -0.009468 | 0.004181 | 0.001309 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1872.816000 | 0.074886 | -0.041629 | -0.021513 | 0.009513 | 0.002978 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 962.869700 | 0.150616 | -0.086334 | -0.044928 | 0.019907 | 0.006239 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 508.633200 | 0.254815 | -0.152607 | -0.080442 | 0.035739 | 0.011197 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 274.815800 | 0.319628 | -0.193607 | -0.102124 | 0.045402 | 0.014244 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 151.199000 | 0.245436 | -0.087671 | -0.034021 | 0.013650 | 0.004172 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 84.326250 | 0.090260 | 0.228742 | 0.187400 | -0.091722 | -0.029180 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47.448130 | 0.010319 | 0.495715 | 0.424300 | -0.212092 | -0.067934 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 26.796860 | 0.000481 | 0.335035 | 0.201611 | -0.082689 | -0.025213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 15.103770 | -0.000250 | 0.078253 | -0.382876 | 0.266832 | 0.089748 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 8.442021 | 0.000040 | 0.005317 | -0.602977 | 0.488396 | 0.171812 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 4.645319 | -0.000056 | 0.000268 | -0.244785 | 0.064930 | 0.007513 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2.495741 | 0.000036 | -0.000102 | -0.023425 | -0.565220 | -0.253282 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.300544 | -0.000013 | -0.000045 | -0.001742 | -0.531168 | -0.284334 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.645658 | 0.000008 | -0.000002 | 0.000318 | -0.128137 | 0.062191 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.305457 | -0.000003 | -0.000000 | -0.000105 | -0.006202 | 0.470500 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.135665 | 0.000001 | 0.000002 | 0.000080 | -0.001918 | 0.492786 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.057861 | -0.000000 | 0.000000 | -0.000011 | -0.000081 | 0.161434 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.023508 | 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)