MOLPRO Basis Query, element=Ba, basis=aug-cc-pVQZ-DK3, l=p
Basis Ba p aug-cc-pVQZ-DK3
| Primitives | Contractions... |
|---|
| 37639205.000000 | 0.000003 | -0.000002 | 0.000001 | 0.000000 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 8287755.400000 | 0.000007 | -0.000003 | 0.000001 | 0.000001 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2187163.600000 | 0.000019 | -0.000009 | 0.000004 | 0.000001 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 649360.490000 | 0.000046 | -0.000022 | 0.000010 | 0.000004 | -0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 212063.560000 | 0.000115 | -0.000055 | 0.000025 | 0.000009 | -0.000002 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 75072.371000 | 0.000289 | -0.000138 | 0.000063 | 0.000022 | -0.000005 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 28518.804000 | 0.000756 | -0.000362 | 0.000165 | 0.000059 | -0.000014 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 11571.701000 | 0.002031 | -0.000976 | 0.000445 | 0.000159 | -0.000039 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 4998.456600 | 0.005547 | -0.002679 | 0.001222 | 0.000437 | -0.000106 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2287.854700 | 0.015005 | -0.007319 | 0.003345 | 0.001197 | -0.000290 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1102.121500 | 0.038785 | -0.019202 | 0.008805 | 0.003155 | -0.000765 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 554.593890 | 0.091119 | -0.046388 | 0.021395 | 0.007666 | -0.001859 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 289.299350 | 0.182189 | -0.096382 | 0.044824 | 0.016107 | -0.003908 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 155.226690 | 0.286953 | -0.160020 | 0.075359 | 0.027099 | -0.006575 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 85.251584 | 0.312227 | -0.173676 | 0.081648 | 0.029442 | -0.007146 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 47.606138 | 0.195020 | -0.027274 | -0.000078 | -0.001155 | 0.000309 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 26.987769 | 0.056496 | 0.258546 | -0.170764 | -0.065072 | 0.015879 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 15.561376 | 0.005883 | 0.456567 | -0.338141 | -0.134358 | 0.032934 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 9.000006 | 0.000340 | 0.319197 | -0.203903 | -0.072342 | 0.017487 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 5.078548 | -0.000107 | 0.085598 | 0.270586 | 0.140555 | -0.035241 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2.804501 | -0.000080 | 0.005948 | 0.566088 | 0.314861 | -0.080206 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.545711 | -0.000015 | 0.001144 | 0.332559 | 0.206001 | -0.052907 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.838618 | -0.000006 | -0.000341 | 0.062962 | -0.204517 | 0.062380 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.444169 | 0.000003 | 0.000192 | 0.004097 | -0.502720 | 0.148687 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.235841 | -0.000002 | -0.000142 | 0.000205 | -0.393564 | 0.175683 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.122692 | 0.000001 | 0.000098 | 0.000019 | -0.111954 | 0.065087 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.067300 | -0.000001 | -0.000066 | -0.000101 | -0.009205 | -0.257006 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.036356 | 0.000001 | 0.000040 | 0.000028 | -0.003857 | -0.484253 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.020061 | -0.000000 | -0.000018 | -0.000021 | 0.000400 | -0.347901 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.010820 | 0.000000 | 0.000005 | 0.000005 | -0.000166 | -0.073011 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.005840 | 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)