MOLPRO Basis Query, element=Bk, basis=cc-pVQZ-DK3, l=d
Basis Bk d cc-pVQZ-DK3
| Primitives | Contractions... |
|---|
| 641043.430000 | 0.000003 | -0.000001 | 0.000001 | 0.000000 | -0.000000 | 0.000000 | -0.000000 | -0.000001 | 0.000000 |
| 147990.700000 | 0.000015 | -0.000006 | 0.000004 | 0.000001 | -0.000002 | 0.000002 | -0.000003 | -0.000002 | 0.000000 |
| 46230.815000 | 0.000066 | -0.000026 | 0.000016 | 0.000004 | -0.000008 | 0.000010 | -0.000011 | -0.000016 | 0.000000 |
| 17093.628000 | 0.000265 | -0.000104 | 0.000064 | 0.000017 | -0.000032 | 0.000043 | -0.000046 | -0.000032 | 0.000000 |
| 7106.465000 | 0.000991 | -0.000392 | 0.000242 | 0.000064 | -0.000119 | 0.000143 | -0.000161 | -0.000254 | 0.000000 |
| 3228.109200 | 0.003483 | -0.001383 | 0.000853 | 0.000224 | -0.000421 | 0.000569 | -0.000603 | -0.000412 | 0.000000 |
| 1572.553900 | 0.011354 | -0.004551 | 0.002806 | 0.000738 | -0.001377 | 0.001662 | -0.001859 | -0.002918 | 0.000000 |
| 809.296730 | 0.033234 | -0.013448 | 0.008285 | 0.002178 | -0.004092 | 0.005519 | -0.005869 | -0.004095 | 0.000000 |
| 434.410820 | 0.084861 | -0.035028 | 0.021552 | 0.005674 | -0.010579 | 0.012739 | -0.014265 | -0.022571 | 0.000000 |
| 241.223270 | 0.179410 | -0.075059 | 0.046131 | 0.012137 | -0.022832 | 0.031172 | -0.033051 | -0.020517 | 0.000000 |
| 137.144100 | 0.294136 | -0.121509 | 0.074783 | 0.019698 | -0.036708 | 0.042658 | -0.048816 | -0.092146 | 0.000000 |
| 79.466969 | 0.341030 | -0.121394 | 0.074837 | 0.019538 | -0.037185 | 0.057806 | -0.059934 | 0.008741 | 0.000000 |
| 46.486242 | 0.229394 | 0.023125 | -0.015416 | -0.004847 | 0.010419 | -0.033310 | 0.029809 | -0.121705 | 0.000000 |
| 27.189979 | 0.048006 | 0.278658 | -0.170502 | -0.047092 | 0.087031 | -0.080142 | 0.114868 | 0.445811 | 0.000000 |
| 15.907678 | -0.050190 | 0.433705 | -0.273014 | -0.074835 | 0.149102 | -0.270578 | 0.278037 | -0.228388 | 0.000000 |
| 9.332111 | -0.043305 | 0.300647 | -0.105748 | -0.024077 | 0.033688 | 0.085640 | -0.052579 | 0.963038 | 0.000000 |
| 5.445315 | -0.013453 | 0.091345 | 0.269897 | 0.093466 | -0.173618 | 0.069112 | -0.305807 | -2.549590 | 0.000000 |
| 3.101894 | -0.001128 | 0.008293 | 0.472209 | 0.163274 | -0.374327 | 1.084470 | -1.439770 | 1.606770 | 0.000000 |
| 1.721461 | 0.000160 | -0.000932 | 0.331746 | 0.088304 | -0.182427 | -0.940057 | 3.163600 | 1.639220 | 0.000000 |
| 0.914327 | 0.000082 | -0.000385 | 0.106910 | -0.123797 | 0.781603 | -0.999360 | -1.993790 | -3.589870 | 0.000000 |
| 0.440695 | 0.000004 | -0.000053 | 0.011798 | -0.341913 | 0.444480 | 1.283570 | -0.394884 | 3.292140 | 0.000000 |
| 0.201993 | 0.000001 | 0.000003 | 0.000435 | -0.412041 | -0.421471 | 0.161766 | 1.491330 | -1.861220 | 0.000000 |
| 0.088779 | -0.000001 | -0.000001 | 0.000083 | -0.292228 | -0.423627 | -0.586149 | -0.773663 | 0.185920 | 0.000000 |
| 0.037054 | 0.000000 | 0.000000 | -0.000013 | -0.083107 | -0.110795 | -0.135350 | -0.251061 | 0.557253 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
| 