MOLPRO Basis Query, element=At, basis=aug-cc-pVQZ-DK3, l=p
Basis At p aug-cc-pVQZ-DK3
| 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 | -0.000142 | -0.000072 | 0.000032 | 0.000010 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 242510.600000 | 0.000595 | -0.000312 | -0.000159 | 0.000070 | 0.000022 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 94060.790000 | 0.001305 | -0.000686 | -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 | 0.006523 | -0.003464 | -0.001769 | 0.000780 | 0.000244 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 7835.884000 | 0.014893 | -0.007987 | -0.004091 | 0.001805 | 0.000565 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3760.587000 | 0.033936 | -0.018434 | -0.009466 | 0.004180 | 0.001309 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1872.816000 | 0.074877 | -0.041623 | -0.021509 | 0.009511 | 0.002978 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 962.869700 | 0.150603 | -0.086324 | -0.044923 | 0.019904 | 0.006237 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 508.633200 | 0.254804 | -0.152598 | -0.080436 | 0.035736 | 0.011196 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 274.815800 | 0.319626 | -0.193611 | -0.102126 | 0.045403 | 0.014243 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 151.199000 | 0.245452 | -0.087703 | -0.034045 | 0.013661 | 0.004175 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 84.326250 | 0.090282 | 0.228692 | 0.187356 | -0.091700 | -0.029172 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47.448130 | 0.010324 | 0.495693 | 0.424296 | -0.212087 | -0.067928 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 26.796860 | 0.000481 | 0.335081 | 0.201677 | -0.082738 | -0.025229 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 15.103770 | -0.000250 | 0.078288 | -0.382798 | 0.266783 | 0.089727 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 8.442021 | 0.000041 | 0.005319 | -0.602960 | 0.488387 | 0.171790 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 4.645319 | -0.000056 | 0.000268 | -0.244871 | 0.065017 | 0.007573 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2.495741 | 0.000036 | -0.000103 | -0.023447 | -0.565105 | -0.253250 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.300544 | -0.000013 | -0.000044 | -0.001741 | -0.531177 | -0.284268 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.645658 | 0.000008 | -0.000002 | 0.000319 | -0.128266 | 0.062072 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.305457 | -0.000003 | -0.000000 | -0.000105 | -0.006217 | 0.470238 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.135665 | 0.000001 | 0.000002 | 0.000081 | -0.001919 | 0.492806 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.057861 | -0.000000 | 0.000000 | -0.000011 | -0.000081 | 0.161757 | 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)
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