MOLPRO Basis Query, element=Ba, basis=cc-pVQZ-X2C, l=p
Basis Ba p cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 37639205.000000 | 0.000002 | -0.000001 | 0.000000 | 0.000000 | -0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 8287755.400000 | 0.000005 | -0.000002 | 0.000001 | 0.000000 | -0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2187163.600000 | 0.000014 | -0.000007 | 0.000003 | 0.000001 | -0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 649360.490000 | 0.000037 | -0.000018 | 0.000008 | 0.000003 | -0.000001 | 0.000000 | 0.000000 | 0.000000 |
| 212063.560000 | 0.000098 | -0.000047 | 0.000021 | 0.000008 | -0.000002 | 0.000000 | 0.000000 | 0.000000 |
| 75072.371000 | 0.000259 | -0.000124 | 0.000057 | 0.000020 | -0.000005 | 0.000000 | 0.000000 | 0.000000 |
| 28518.804000 | 0.000706 | -0.000338 | 0.000154 | 0.000055 | -0.000013 | 0.000000 | 0.000000 | 0.000000 |
| 11571.701000 | 0.001958 | -0.000942 | 0.000429 | 0.000154 | -0.000037 | 0.000000 | 0.000000 | 0.000000 |
| 4998.456600 | 0.005468 | -0.002643 | 0.001206 | 0.000431 | -0.000105 | 0.000000 | 0.000000 | 0.000000 |
| 2287.854700 | 0.014954 | -0.007295 | 0.003335 | 0.001193 | -0.000289 | 0.000000 | 0.000000 | 0.000000 |
| 1102.121500 | 0.038776 | -0.019200 | 0.008804 | 0.003154 | -0.000765 | 0.000000 | 0.000000 | 0.000000 |
| 554.593890 | 0.091136 | -0.046399 | 0.021400 | 0.007668 | -0.001860 | 0.000000 | 0.000000 | 0.000000 |
| 289.299350 | 0.182214 | -0.096396 | 0.044831 | 0.016109 | -0.003908 | 0.000000 | 0.000000 | 0.000000 |
| 155.226690 | 0.286970 | -0.160029 | 0.075364 | 0.027101 | -0.006575 | 0.000000 | 0.000000 | 0.000000 |
| 85.251584 | 0.312226 | -0.173672 | 0.081645 | 0.029441 | -0.007145 | 0.000000 | 0.000000 | 0.000000 |
| 47.606138 | 0.195009 | -0.027257 | -0.000088 | -0.001158 | 0.000310 | 0.000000 | 0.000000 | 0.000000 |
| 26.987769 | 0.056489 | 0.258564 | -0.170775 | -0.065076 | 0.015880 | 0.000000 | 0.000000 | 0.000000 |
| 15.561376 | 0.005882 | 0.456566 | -0.338141 | -0.134358 | 0.032934 | 0.000000 | 0.000000 | 0.000000 |
| 9.000006 | 0.000340 | 0.319182 | -0.203883 | -0.072333 | 0.017484 | 0.000000 | 0.000000 | 0.000000 |
| 5.078548 | -0.000107 | 0.085589 | 0.270608 | 0.140566 | -0.035244 | 0.000000 | 0.000000 | 0.000000 |
| 2.804501 | -0.000080 | 0.005947 | 0.566087 | 0.314863 | -0.080206 | 0.000000 | 0.000000 | 0.000000 |
| 1.545711 | -0.000015 | 0.001144 | 0.332543 | 0.205986 | -0.052902 | 0.000000 | 0.000000 | 0.000000 |
| 0.838618 | -0.000006 | -0.000341 | 0.062956 | -0.204533 | 0.062384 | 0.000000 | 0.000000 | 0.000000 |
| 0.444169 | 0.000003 | 0.000192 | 0.004096 | -0.502724 | 0.148687 | 0.000000 | 0.000000 | 0.000000 |
| 0.235841 | -0.000002 | -0.000142 | 0.000205 | -0.393554 | 0.175680 | 0.000000 | 0.000000 | 0.000000 |
| 0.122692 | 0.000001 | 0.000098 | 0.000019 | -0.111945 | 0.065081 | 0.000000 | 0.000000 | 0.000000 |
| 0.067300 | -0.000001 | -0.000066 | -0.000101 | -0.009204 | -0.257015 | 0.000000 | 0.000000 | 0.000000 |
| 0.036356 | 0.000001 | 0.000040 | 0.000028 | -0.003856 | -0.484257 | 1.000000 | 0.000000 | 0.000000 |
| 0.020061 | -0.000000 | -0.000018 | -0.000021 | 0.000400 | -0.347891 | 0.000000 | 1.000000 | 0.000000 |
| 0.010820 | 0.000000 | 0.000005 | 0.000005 | -0.000166 | -0.073004 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)