MOLPRO Basis Query, element=Ba, basis=cc-pVQZ-X2C, l=s
Basis Ba s cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 73738827.000000 | 0.000227 | -0.000080 | 0.000036 | 0.000017 | -0.000007 | -0.000002 | 0.000000 | 0.000000 | 0.000000 |
| 19480305.000000 | 0.000201 | -0.000071 | 0.000032 | 0.000015 | -0.000006 | -0.000002 | 0.000000 | 0.000000 | 0.000000 |
| 6560103.800000 | 0.000592 | -0.000210 | 0.000095 | 0.000044 | -0.000017 | -0.000005 | 0.000000 | 0.000000 | 0.000000 |
| 2431081.600000 | 0.000834 | -0.000296 | 0.000134 | 0.000063 | -0.000025 | -0.000007 | 0.000000 | 0.000000 | 0.000000 |
| 970052.390000 | 0.001720 | -0.000612 | 0.000277 | 0.000129 | -0.000051 | -0.000014 | 0.000000 | 0.000000 | 0.000000 |
| 405477.170000 | 0.002848 | -0.001016 | 0.000461 | 0.000215 | -0.000085 | -0.000024 | 0.000000 | 0.000000 | 0.000000 |
| 176574.760000 | 0.005350 | -0.001917 | 0.000870 | 0.000405 | -0.000160 | -0.000044 | 0.000000 | 0.000000 | 0.000000 |
| 79615.901000 | 0.009448 | -0.003409 | 0.001549 | 0.000722 | -0.000284 | -0.000079 | 0.000000 | 0.000000 | 0.000000 |
| 37071.497000 | 0.017513 | -0.006379 | 0.002903 | 0.001353 | -0.000533 | -0.000149 | 0.000000 | 0.000000 | 0.000000 |
| 17760.868000 | 0.031885 | -0.011798 | 0.005381 | 0.002509 | -0.000988 | -0.000275 | 0.000000 | 0.000000 | 0.000000 |
| 8729.002500 | 0.058434 | -0.022154 | 0.010144 | 0.004733 | -0.001864 | -0.000520 | 0.000000 | 0.000000 | 0.000000 |
| 4396.490900 | 0.102554 | -0.040541 | 0.018680 | 0.008728 | -0.003438 | -0.000959 | 0.000000 | 0.000000 | 0.000000 |
| 2274.364700 | 0.166832 | -0.070732 | 0.032963 | 0.015438 | -0.006087 | -0.001697 | 0.000000 | 0.000000 | 0.000000 |
| 1213.065900 | 0.232901 | -0.111186 | 0.052795 | 0.024832 | -0.009795 | -0.002732 | 0.000000 | 0.000000 | 0.000000 |
| 668.408590 | 0.256352 | -0.146127 | 0.071624 | 0.033916 | -0.013412 | -0.003740 | 0.000000 | 0.000000 | 0.000000 |
| 379.284830 | 0.194721 | -0.134146 | 0.068295 | 0.032644 | -0.012903 | -0.003602 | 0.000000 | 0.000000 | 0.000000 |
| 220.232950 | 0.085589 | -0.016964 | 0.006238 | 0.002719 | -0.001117 | -0.000305 | 0.000000 | 0.000000 | 0.000000 |
| 130.599000 | 0.015011 | 0.200187 | -0.140444 | -0.071736 | 0.029003 | 0.008092 | 0.000000 | 0.000000 | 0.000000 |
| 85.547900 | 0.002112 | 0.270889 | -0.222486 | -0.119456 | 0.048081 | 0.013507 | 0.000000 | 0.000000 | 0.000000 |
| 60.285506 | -0.000584 | 0.336233 | -0.337599 | -0.186345 | 0.076691 | 0.021433 | 0.000000 | 0.000000 | 0.000000 |
| 37.711333 | 0.000450 | 0.280434 | -0.310993 | -0.182774 | 0.075402 | 0.021250 | 0.000000 | 0.000000 | 0.000000 |
| 21.439918 | -0.000339 | 0.072998 | 0.183162 | 0.127515 | -0.052972 | -0.015010 | 0.000000 | 0.000000 | 0.000000 |
| 13.289959 | 0.000203 | -0.000898 | 0.623768 | 0.625577 | -0.299297 | -0.085668 | 0.000000 | 0.000000 | 0.000000 |
| 8.114876 | -0.000162 | 0.003589 | 0.441942 | 0.598748 | -0.286309 | -0.082175 | 0.000000 | 0.000000 | 0.000000 |
| 4.923861 | 0.000104 | -0.001827 | 0.117867 | -0.084581 | 0.058824 | 0.017238 | 0.000000 | 0.000000 | 0.000000 |
| 2.866215 | -0.000056 | 0.000767 | 0.011024 | -0.738347 | 0.509055 | 0.155050 | 0.000000 | 0.000000 | 0.000000 |
| 1.667258 | 0.000037 | -0.000557 | 0.001387 | -0.549899 | 0.616244 | 0.205267 | 0.000000 | 0.000000 | 0.000000 |
| 0.923327 | -0.000022 | 0.000314 | 0.000000 | -0.103973 | 0.031549 | -0.004145 | 0.000000 | 0.000000 | 0.000000 |
| 0.530018 | 0.000014 | -0.000194 | -0.000051 | -0.001182 | -0.593988 | -0.223920 | 0.000000 | 0.000000 | 0.000000 |
| 0.298677 | -0.000008 | 0.000115 | -0.000070 | -0.002288 | -0.601279 | -0.338415 | 0.000000 | 0.000000 | 0.000000 |
| 0.166155 | 0.000004 | -0.000052 | 0.000003 | 0.000303 | -0.184080 | -0.237348 | 0.000000 | 0.000000 | 0.000000 |
| 0.073066 | -0.000002 | 0.000026 | -0.000007 | -0.000213 | -0.008675 | 0.212150 | 0.000000 | 0.000000 | 0.000000 |
| 0.040388 | 0.000001 | -0.000018 | 0.000005 | 0.000134 | 0.001532 | 0.556983 | 1.000000 | 0.000000 | 0.000000 |
| 0.022107 | -0.000001 | 0.000008 | -0.000002 | -0.000058 | -0.000501 | 0.421197 | 0.000000 | 1.000000 | 0.000000 |
| 0.012000 | 0.000000 | -0.000002 | 0.000001 | 0.000014 | 0.000099 | 0.075335 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
| 