MOLPRO Basis Query, element=At, basis=aug-cc-pVTZ-DK3, l=s
Basis At s aug-cc-pVTZ-DK3
| Primitives | Contractions... |
|---|
| 297068100.000000 | 0.000466 | -0.000187 | 0.000090 | -0.000046 | -0.000021 | 0.000008 | 0.000000 | 0.000000 | 0.000000 |
| 91029050.000000 | 0.000317 | -0.000127 | 0.000061 | -0.000031 | -0.000015 | 0.000005 | 0.000000 | 0.000000 | 0.000000 |
| 30321050.000000 | 0.001213 | -0.000486 | 0.000235 | -0.000120 | -0.000056 | 0.000021 | 0.000000 | 0.000000 | 0.000000 |
| 10798440.000000 | 0.001714 | -0.000687 | 0.000332 | -0.000169 | -0.000079 | 0.000030 | 0.000000 | 0.000000 | 0.000000 |
| 4057473.000000 | 0.003557 | -0.001428 | 0.000691 | -0.000352 | -0.000163 | 0.000062 | 0.000000 | 0.000000 | 0.000000 |
| 1591912.000000 | 0.005853 | -0.002355 | 0.001140 | -0.000580 | -0.000270 | 0.000102 | 0.000000 | 0.000000 | 0.000000 |
| 647079.000000 | 0.010580 | -0.004278 | 0.002072 | -0.001056 | -0.000490 | 0.000185 | 0.000000 | 0.000000 | 0.000000 |
| 270983.600000 | 0.017873 | -0.007285 | 0.003534 | -0.001801 | -0.000837 | 0.000315 | 0.000000 | 0.000000 | 0.000000 |
| 116484.000000 | 0.030974 | -0.012784 | 0.006214 | -0.003168 | -0.001472 | 0.000554 | 0.000000 | 0.000000 | 0.000000 |
| 51284.390000 | 0.052363 | -0.022044 | 0.010753 | -0.005487 | -0.002551 | 0.000960 | 0.000000 | 0.000000 | 0.000000 |
| 23103.490000 | 0.088393 | -0.038372 | 0.018814 | -0.009610 | -0.004468 | 0.001682 | 0.000000 | 0.000000 | 0.000000 |
| 10648.560000 | 0.143826 | -0.065574 | 0.032440 | -0.016613 | -0.007735 | 0.002911 | 0.000000 | 0.000000 | 0.000000 |
| 5023.361000 | 0.218081 | -0.107455 | 0.053896 | -0.027681 | -0.012881 | 0.004853 | 0.000000 | 0.000000 | 0.000000 |
| 2426.768000 | 0.278119 | -0.154199 | 0.079191 | -0.040960 | -0.019134 | 0.007199 | 0.000000 | 0.000000 | 0.000000 |
| 1201.036000 | 0.249671 | -0.152553 | 0.079804 | -0.041365 | -0.019244 | 0.007271 | 0.000000 | 0.000000 | 0.000000 |
| 608.856700 | 0.115011 | 0.008584 | -0.017576 | 0.010844 | 0.005117 | -0.001999 | 0.000000 | 0.000000 | 0.000000 |
| 315.840100 | 0.016068 | 0.353387 | -0.293039 | 0.171683 | 0.083088 | -0.031373 | 0.000000 | 0.000000 | 0.000000 |
| 167.282300 | 0.000677 | 0.507940 | -0.542379 | 0.337847 | 0.164490 | -0.062898 | 0.000000 | 0.000000 | 0.000000 |
| 90.121260 | -0.000273 | 0.235189 | -0.198430 | 0.131334 | 0.068508 | -0.025575 | 0.000000 | 0.000000 | 0.000000 |
| 49.106640 | 0.000166 | 0.024918 | 0.660231 | -0.700580 | -0.401359 | 0.156039 | 0.000000 | 0.000000 | 0.000000 |
| 26.850880 | -0.000157 | 0.000974 | 0.626024 | -0.879686 | -0.519652 | 0.209049 | 0.000000 | 0.000000 | 0.000000 |
| 14.579100 | 0.000106 | -0.000400 | 0.111011 | 0.383552 | 0.300665 | -0.129744 | 0.000000 | 0.000000 | 0.000000 |
| 7.755960 | -0.000059 | 0.000036 | 0.008105 | 0.978278 | 1.132400 | -0.518448 | 0.000000 | 0.000000 | 0.000000 |
| 3.975877 | 0.000038 | -0.000060 | -0.002250 | 0.240596 | 0.210786 | -0.101649 | 0.000000 | 0.000000 | 0.000000 |
| 2.173525 | -0.000022 | 0.000042 | 0.001298 | -0.002091 | -0.978713 | 0.693047 | 0.000000 | 0.000000 | 0.000000 |
| 1.098690 | 0.000008 | -0.000010 | -0.000622 | 0.003559 | -0.557431 | 0.517306 | 0.000000 | 0.000000 | 0.000000 |
| 0.389775 | -0.000003 | 0.000004 | 0.000224 | -0.000754 | -0.030885 | -0.603001 | 1.000000 | 0.000000 | 0.000000 |
| 0.186253 | 0.000002 | -0.000003 | -0.000130 | 0.000378 | 0.006600 | -0.595578 | 0.000000 | 0.000000 | 0.000000 |
| 0.092129 | -0.000001 | 0.000001 | 0.000040 | -0.000121 | -0.001659 | -0.177128 | 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)