MOLPRO Basis Query, element=Ba, basis=cc-pwCVQZ-DK3, l=s
Basis Ba s cc-pwCVQZ-DK3
| Primitives | Contractions... |
|---|
| 73738827.000000 | 0.000195 | -0.000069 | 0.000031 | 0.000014 | -0.000006 | -0.000002 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 19480305.000000 | 0.000205 | -0.000072 | 0.000033 | 0.000015 | -0.000006 | -0.000002 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6560103.800000 | 0.000580 | -0.000204 | 0.000092 | 0.000043 | -0.000017 | -0.000005 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2431081.600000 | 0.000902 | -0.000318 | 0.000144 | 0.000067 | -0.000026 | -0.000007 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 970052.390000 | 0.001825 | -0.000644 | 0.000292 | 0.000136 | -0.000053 | -0.000015 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 405477.170000 | 0.003140 | -0.001111 | 0.000503 | 0.000234 | -0.000092 | -0.000026 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 176574.760000 | 0.005790 | -0.002058 | 0.000933 | 0.000435 | -0.000171 | -0.000048 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 79615.901000 | 0.010184 | -0.003647 | 0.001655 | 0.000771 | -0.000304 | -0.000085 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 37071.497000 | 0.018367 | -0.006648 | 0.003023 | 0.001408 | -0.000555 | -0.000155 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17760.868000 | 0.032778 | -0.012068 | 0.005501 | 0.002564 | -0.001010 | -0.000282 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 8729.002500 | 0.058876 | -0.022254 | 0.010186 | 0.004752 | -0.001872 | -0.000522 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 4396.490900 | 0.102467 | -0.040451 | 0.018635 | 0.008707 | -0.003430 | -0.000956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2274.364700 | 0.166272 | -0.070479 | 0.032845 | 0.015383 | -0.006066 | -0.001691 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1213.065900 | 0.232542 | -0.111015 | 0.052715 | 0.024794 | -0.009780 | -0.002728 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 668.408590 | 0.256103 | -0.146009 | 0.071569 | 0.033890 | -0.013402 | -0.003737 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 379.284830 | 0.194754 | -0.134151 | 0.068297 | 0.032645 | -0.012903 | -0.003602 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 220.232950 | 0.085469 | -0.016920 | 0.006220 | 0.002711 | -0.001113 | -0.000304 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 130.599000 | 0.015168 | 0.200115 | -0.140409 | -0.071719 | 0.028996 | 0.008090 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 85.547900 | 0.001898 | 0.270976 | -0.222528 | -0.119475 | 0.048089 | 0.013509 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 60.285506 | -0.000407 | 0.336145 | -0.337556 | -0.186325 | 0.076684 | 0.021432 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 37.711333 | 0.000358 | 0.280469 | -0.311002 | -0.182777 | 0.075403 | 0.021251 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 21.439918 | -0.000280 | 0.072963 | 0.183196 | 0.127538 | -0.052982 | -0.015013 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 13.289959 | 0.000157 | -0.000873 | 0.623755 | 0.625577 | -0.299300 | -0.085671 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 8.114876 | -0.000131 | 0.003571 | 0.441942 | 0.598742 | -0.286308 | -0.082177 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 4.923861 | 0.000084 | -0.001815 | 0.117851 | -0.084612 | 0.058845 | 0.017244 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2.866215 | -0.000044 | 0.000760 | 0.011028 | -0.738351 | 0.509069 | 0.155058 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.667258 | 0.000029 | -0.000553 | 0.001383 | -0.549887 | 0.616236 | 0.205271 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.923327 | -0.000018 | 0.000311 | 0.000002 | -0.103964 | 0.031519 | -0.004158 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.530018 | 0.000011 | -0.000192 | -0.000053 | -0.001182 | -0.594003 | -0.223936 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.298677 | -0.000006 | 0.000114 | -0.000069 | -0.002287 | -0.601264 | -0.338426 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.166155 | 0.000003 | -0.000051 | 0.000003 | 0.000303 | -0.184068 | -0.237323 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.073066 | -0.000001 | 0.000026 | -0.000007 | -0.000212 | -0.008675 | 0.212179 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.040388 | 0.000001 | -0.000018 | 0.000005 | 0.000133 | 0.001532 | 0.556982 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.022107 | -0.000000 | 0.000008 | -0.000002 | -0.000058 | -0.000501 | 0.421179 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.012000 | 0.000000 | -0.000002 | 0.000001 | 0.000014 | 0.000099 | 0.075325 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.863760 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.391100 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.177090 | 0.000000 | 0.000000 | 0.000000 | 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)