MOLPRO Basis Query, element=At, basis=aug-cc-pVTZ-DK, l=s
Basis At s aug-cc-pVTZ-DK
| Primitives | Contractions... |
|---|
| 297068100.000000 | 0.000498 | -0.000199 | 0.000096 | -0.000049 | -0.000023 | 0.000009 | 0.000000 | 0.000000 | 0.000000 |
| 91029050.000000 | 0.000308 | -0.000123 | 0.000060 | -0.000030 | -0.000014 | 0.000005 | 0.000000 | 0.000000 | 0.000000 |
| 30321050.000000 | 0.001248 | -0.000499 | 0.000241 | -0.000123 | -0.000057 | 0.000021 | 0.000000 | 0.000000 | 0.000000 |
| 10798440.000000 | 0.001682 | -0.000674 | 0.000326 | -0.000166 | -0.000077 | 0.000029 | 0.000000 | 0.000000 | 0.000000 |
| 4057473.000000 | 0.003569 | -0.001431 | 0.000693 | -0.000353 | -0.000164 | 0.000062 | 0.000000 | 0.000000 | 0.000000 |
| 1591912.000000 | 0.005751 | -0.002315 | 0.001121 | -0.000571 | -0.000265 | 0.000100 | 0.000000 | 0.000000 | 0.000000 |
| 647079.000000 | 0.010508 | -0.004251 | 0.002060 | -0.001049 | -0.000487 | 0.000183 | 0.000000 | 0.000000 | 0.000000 |
| 270983.600000 | 0.017616 | -0.007189 | 0.003488 | -0.001778 | -0.000826 | 0.000311 | 0.000000 | 0.000000 | 0.000000 |
| 116484.000000 | 0.030717 | -0.012693 | 0.006172 | -0.003146 | -0.001462 | 0.000550 | 0.000000 | 0.000000 | 0.000000 |
| 51284.390000 | 0.051835 | -0.021852 | 0.010663 | -0.005442 | -0.002530 | 0.000951 | 0.000000 | 0.000000 | 0.000000 |
| 23103.490000 | 0.087857 | -0.038184 | 0.018729 | -0.009568 | -0.004447 | 0.001673 | 0.000000 | 0.000000 | 0.000000 |
| 10648.560000 | 0.143034 | -0.065286 | 0.032310 | -0.016549 | -0.007703 | 0.002896 | 0.000000 | 0.000000 | 0.000000 |
| 5023.361000 | 0.217607 | -0.107299 | 0.053836 | -0.027652 | -0.012864 | 0.004842 | 0.000000 | 0.000000 | 0.000000 |
| 2426.768000 | 0.278068 | -0.154267 | 0.079254 | -0.040996 | -0.019147 | 0.007198 | 0.000000 | 0.000000 | 0.000000 |
| 1201.036000 | 0.250780 | -0.153499 | 0.080350 | -0.041655 | -0.019374 | 0.007312 | 0.000000 | 0.000000 | 0.000000 |
| 608.856700 | 0.115999 | 0.006761 | -0.016401 | 0.010199 | 0.004808 | -0.001877 | 0.000000 | 0.000000 | 0.000000 |
| 315.840100 | 0.016495 | 0.351713 | -0.291617 | 0.170848 | 0.082672 | -0.031192 | 0.000000 | 0.000000 | 0.000000 |
| 167.282300 | 0.000572 | 0.508875 | -0.542975 | 0.338135 | 0.164564 | -0.062846 | 0.000000 | 0.000000 | 0.000000 |
| 90.121260 | -0.000172 | 0.236842 | -0.202133 | 0.134111 | 0.069949 | -0.026137 | 0.000000 | 0.000000 | 0.000000 |
| 49.106640 | 0.000084 | 0.025356 | 0.658152 | -0.697791 | -0.399635 | 0.155267 | 0.000000 | 0.000000 | 0.000000 |
| 26.850880 | -0.000096 | 0.000938 | 0.628425 | -0.882857 | -0.521198 | 0.209309 | 0.000000 | 0.000000 | 0.000000 |
| 14.579100 | 0.000064 | -0.000370 | 0.112170 | 0.378548 | 0.296061 | -0.127421 | 0.000000 | 0.000000 | 0.000000 |
| 7.755960 | -0.000033 | 0.000016 | 0.008195 | 0.979931 | 1.132710 | -0.518175 | 0.000000 | 0.000000 | 0.000000 |
| 3.975877 | 0.000022 | -0.000048 | -0.002265 | 0.242718 | 0.216641 | -0.104061 | 0.000000 | 0.000000 | 0.000000 |
| 2.173525 | -0.000013 | 0.000036 | 0.001306 | -0.002125 | -0.977948 | 0.689556 | 0.000000 | 0.000000 | 0.000000 |
| 1.098690 | 0.000005 | -0.000007 | -0.000627 | 0.003638 | -0.560360 | 0.521196 | 0.000000 | 0.000000 | 0.000000 |
| 0.389775 | -0.000002 | 0.000003 | 0.000226 | -0.000778 | -0.031347 | -0.599096 | 1.000000 | 0.000000 | 0.000000 |
| 0.186253 | 0.000001 | -0.000002 | -0.000131 | 0.000392 | 0.006730 | -0.598051 | 0.000000 | 0.000000 | 0.000000 |
| 0.092129 | -0.000000 | 0.000001 | 0.000040 | -0.000125 | -0.001698 | -0.178526 | 0.000000 | 1.000000 | 0.000000 |
| 0.042638 | 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)