MOLPRO Basis Query, element=Ba, basis=augccpwCVDZ-DK3, l=s
Basis Ba s augccpwCVDZ-DK3
| Primitives | Contractions... |
|---|
| 56913503.000000 | 0.000235 | -0.000082 | 0.000037 | -0.000017 | -0.000007 | 0.000002 | 0.000000 | 0.000000 | 0.000000 |
| 12087511.000000 | 0.000412 | -0.000145 | 0.000066 | -0.000031 | -0.000012 | 0.000003 | 0.000000 | 0.000000 | 0.000000 |
| 3219081.000000 | 0.001077 | -0.000379 | 0.000172 | -0.000080 | -0.000031 | 0.000009 | 0.000000 | 0.000000 | 0.000000 |
| 959870.900000 | 0.002283 | -0.000806 | 0.000365 | -0.000170 | -0.000067 | 0.000019 | 0.000000 | 0.000000 | 0.000000 |
| 314098.600000 | 0.004927 | -0.001745 | 0.000791 | -0.000368 | -0.000145 | 0.000040 | 0.000000 | 0.000000 | 0.000000 |
| 110732.940000 | 0.010190 | -0.003638 | 0.001651 | -0.000768 | -0.000303 | 0.000084 | 0.000000 | 0.000000 | 0.000000 |
| 41626.551000 | 0.021093 | -0.007616 | 0.003459 | -0.001613 | -0.000635 | 0.000177 | 0.000000 | 0.000000 | 0.000000 |
| 16540.040000 | 0.043349 | -0.016006 | 0.007306 | -0.003401 | -0.001339 | 0.000373 | 0.000000 | 0.000000 | 0.000000 |
| 6898.195000 | 0.088189 | -0.033709 | 0.015433 | -0.007219 | -0.002845 | 0.000792 | 0.000000 | 0.000000 | 0.000000 |
| 3001.366700 | 0.169462 | -0.069503 | 0.032277 | -0.015050 | -0.005929 | 0.001655 | 0.000000 | 0.000000 | 0.000000 |
| 1355.197100 | 0.279886 | -0.129793 | 0.061189 | -0.028889 | -0.011405 | 0.003173 | 0.000000 | 0.000000 | 0.000000 |
| 632.015030 | 0.328860 | -0.192812 | 0.095326 | -0.044821 | -0.017696 | 0.004950 | 0.000000 | 0.000000 | 0.000000 |
| 301.640320 | 0.203147 | -0.130364 | 0.065745 | -0.032364 | -0.012867 | 0.003554 | 0.000000 | 0.000000 | 0.000000 |
| 136.783470 | 0.035894 | 0.251754 | -0.171110 | 0.089879 | 0.036235 | -0.010038 | 0.000000 | 0.000000 | 0.000000 |
| 68.513845 | -0.002743 | 0.579823 | -0.546739 | 0.292487 | 0.118878 | -0.033503 | 0.000000 | 0.000000 | 0.000000 |
| 34.658257 | 0.001547 | 0.317517 | -0.315466 | 0.202022 | 0.085431 | -0.023628 | 0.000000 | 0.000000 | 0.000000 |
| 16.028751 | -0.000859 | 0.033365 | 0.677306 | -0.614030 | -0.280923 | 0.079101 | 0.000000 | 0.000000 | 0.000000 |
| 8.224360 | 0.000432 | -0.002312 | 0.645422 | -0.796871 | -0.390934 | 0.114180 | 0.000000 | 0.000000 | 0.000000 |
| 3.442040 | -0.000193 | 0.000611 | 0.072782 | 0.691244 | 0.471490 | -0.145609 | 0.000000 | 0.000000 | 0.000000 |
| 1.693369 | 0.000094 | -0.000399 | -0.006954 | 0.789570 | 0.767954 | -0.243753 | 0.000000 | 0.000000 | 0.000000 |
| 0.511685 | -0.000033 | 0.000124 | 0.002023 | 0.049765 | -0.734789 | 0.296666 | 0.000000 | 0.000000 | 0.000000 |
| 0.237419 | 0.000016 | -0.000054 | -0.001011 | -0.010623 | -0.637467 | 0.451242 | 0.000000 | 0.000000 | 0.000000 |
| 0.044975 | -0.000004 | 0.000015 | 0.000250 | 0.002265 | -0.019832 | -0.725445 | 0.000000 | 0.000000 | 0.000000 |
| 0.019356 | 0.000002 | -0.000007 | -0.000118 | -0.001029 | 0.006154 | -0.479279 | 1.000000 | 0.000000 | 0.000000 |
| 0.475050 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.008330 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)