MOLPRO Basis Query, element=At, basis=cc-pwCVQZ-DK3, l=s
Basis At s cc-pwCVQZ-DK3
| Primitives | Contractions... |
|---|
| 848424300.000000 | 0.000230 | -0.000093 | 0.000045 | -0.000023 | -0.000011 | 0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 249374900.000000 | 0.000189 | -0.000076 | 0.000037 | -0.000019 | -0.000009 | 0.000003 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 79844090.000000 | 0.000645 | -0.000259 | 0.000125 | -0.000064 | -0.000030 | 0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 27425210.000000 | 0.000992 | -0.000397 | 0.000192 | -0.000098 | -0.000045 | 0.000017 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 9978904.000000 | 0.002021 | -0.000810 | 0.000392 | -0.000199 | -0.000093 | 0.000035 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3807033.000000 | 0.003437 | -0.001379 | 0.000667 | -0.000340 | -0.000158 | 0.000059 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1510564.000000 | 0.006201 | -0.002496 | 0.001208 | -0.000615 | -0.000286 | 0.000108 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 619505.300000 | 0.010595 | -0.004286 | 0.002076 | -0.001057 | -0.000491 | 0.000185 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 261415.900000 | 0.018344 | -0.007480 | 0.003629 | -0.001849 | -0.000859 | 0.000323 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 113147.500000 | 0.031156 | -0.012867 | 0.006255 | -0.003188 | -0.001482 | 0.000558 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 50135.140000 | 0.052969 | -0.022313 | 0.010885 | -0.005555 | -0.002583 | 0.000972 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 22719.040000 | 0.088591 | -0.038492 | 0.018876 | -0.009641 | -0.004482 | 0.001687 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 10525.870000 | 0.144204 | -0.065803 | 0.032557 | -0.016678 | -0.007764 | 0.002924 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 4986.705000 | 0.217593 | -0.107329 | 0.053846 | -0.027647 | -0.012866 | 0.004843 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2416.681000 | 0.277569 | -0.153993 | 0.079088 | -0.040932 | -0.019119 | 0.007205 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1198.465000 | 0.248619 | -0.151928 | 0.079496 | -0.041148 | -0.019148 | 0.007206 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 608.227700 | 0.114901 | 0.008882 | -0.017824 | 0.010841 | 0.005129 | -0.001930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 315.759300 | 0.015768 | 0.353161 | -0.292736 | 0.171841 | 0.083137 | -0.031571 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 167.487900 | 0.000935 | 0.506108 | -0.540365 | 0.335768 | 0.163499 | -0.062103 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 90.574510 | -0.000518 | 0.235737 | -0.202497 | 0.136102 | 0.070967 | -0.027447 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 49.767620 | 0.000392 | 0.026209 | 0.633485 | -0.671481 | -0.384525 | 0.151333 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 27.649600 | -0.000353 | 0.001024 | 0.630847 | -0.874683 | -0.514490 | 0.202975 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 15.430150 | 0.000260 | -0.000326 | 0.131475 | 0.232236 | 0.180202 | -0.071805 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 8.575890 | -0.000168 | -0.000021 | 0.011483 | 0.945071 | 1.020930 | -0.470814 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 4.696238 | 0.000104 | -0.000035 | -0.002236 | 0.371110 | 0.503700 | -0.235836 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2.500679 | -0.000058 | 0.000022 | 0.001390 | 0.014211 | -0.840243 | 0.543974 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.277024 | 0.000029 | -0.000001 | -0.000879 | 0.005027 | -0.733196 | 0.677843 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.552437 | -0.000019 | 0.000002 | 0.000543 | -0.002381 | -0.082353 | -0.099723 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.324672 | 0.000013 | -0.000002 | -0.000389 | 0.001708 | 0.011678 | -0.608461 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.166475 | -0.000005 | 0.000000 | 0.000142 | -0.000643 | -0.002742 | -0.523937 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.078183 | 0.000001 | -0.000000 | -0.000029 | 0.000126 | 0.000322 | -0.115259 | 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)