MOLPRO Basis Query, element=Th, basis=cc-pwCVTZ-DK3, l=p
Basis Th p cc-pwCVTZ-DK3
| Primitives | Contractions... |
|---|
| 51735900.000000 | 0.000018 | -0.000021 | 0.000002 | -0.000003 | 0.000001 | -0.000000 | -0.000001 | -0.000001 | -0.000002 | 0.000000 | 0.000000 | 0.000000 |
| 14956300.000000 | 0.000023 | -0.000027 | 0.000003 | -0.000004 | 0.000002 | -0.000000 | -0.000001 | -0.000002 | -0.000003 | 0.000000 | 0.000000 | 0.000000 |
| 4692130.000000 | 0.000067 | -0.000080 | 0.000009 | -0.000011 | 0.000005 | -0.000001 | -0.000003 | -0.000005 | -0.000007 | 0.000000 | 0.000000 | 0.000000 |
| 1582520.000000 | 0.000131 | -0.000155 | 0.000018 | -0.000021 | 0.000010 | -0.000002 | -0.000006 | -0.000010 | -0.000014 | 0.000000 | 0.000000 | 0.000000 |
| 565163.000000 | 0.000297 | -0.000353 | 0.000040 | -0.000049 | 0.000022 | -0.000005 | -0.000014 | -0.000024 | -0.000033 | 0.000000 | 0.000000 | 0.000000 |
| 211902.000000 | 0.000636 | -0.000758 | 0.000087 | -0.000105 | 0.000047 | -0.000012 | -0.000029 | -0.000051 | -0.000070 | 0.000000 | 0.000000 | 0.000000 |
| 82996.100000 | 0.001435 | -0.001715 | 0.000198 | -0.000237 | 0.000106 | -0.000026 | -0.000067 | -0.000115 | -0.000162 | 0.000000 | 0.000000 | 0.000000 |
| 33891.900000 | 0.003276 | -0.003934 | 0.000458 | -0.000547 | 0.000245 | -0.000061 | -0.000153 | -0.000266 | -0.000364 | 0.000000 | 0.000000 | 0.000000 |
| 14433.200000 | 0.007703 | -0.009316 | 0.001098 | -0.001301 | 0.000583 | -0.000144 | -0.000364 | -0.000631 | -0.000895 | 0.000000 | 0.000000 | 0.000000 |
| 6417.430000 | 0.018220 | -0.022264 | 0.002676 | -0.003136 | 0.001405 | -0.000347 | -0.000881 | -0.001530 | -0.002072 | 0.000000 | 0.000000 | 0.000000 |
| 2979.040000 | 0.042363 | -0.052648 | 0.006517 | -0.007509 | 0.003365 | -0.000831 | -0.002102 | -0.003637 | -0.005219 | 0.000000 | 0.000000 | 0.000000 |
| 1440.540000 | 0.091379 | -0.116587 | 0.015101 | -0.016977 | 0.007603 | -0.001879 | -0.004772 | -0.008297 | -0.011093 | 0.000000 | 0.000000 | 0.000000 |
| 721.977000 | 0.168686 | -0.223395 | 0.030712 | -0.033420 | 0.014970 | -0.003700 | -0.009341 | -0.016146 | -0.023684 | 0.000000 | 0.000000 | 0.000000 |
| 372.986000 | 0.235372 | -0.321520 | 0.046430 | -0.049300 | 0.022068 | -0.005456 | -0.013900 | -0.024261 | -0.030656 | 0.000000 | 0.000000 | 0.000000 |
| 198.061000 | 0.220145 | -0.235183 | 0.017459 | -0.027185 | 0.012193 | -0.003008 | -0.007422 | -0.012475 | -0.024763 | 0.000000 | 0.000000 | 0.000000 |
| 107.488000 | 0.173869 | 0.144997 | -0.120962 | 0.075980 | -0.034145 | 0.008467 | 0.021059 | 0.036010 | 0.069071 | 0.000000 | 0.000000 | 0.000000 |
| 59.756100 | 0.189421 | 0.526263 | -0.322501 | 0.219810 | -0.098980 | 0.024578 | 0.063488 | 0.113150 | 0.123106 | 0.000000 | 0.000000 | 0.000000 |
| 33.586900 | 0.137024 | 0.403085 | -0.191159 | 0.123718 | -0.054898 | 0.013556 | 0.032321 | 0.051801 | 0.144214 | 0.000000 | 0.000000 | 0.000000 |
| 18.693900 | 0.033342 | 0.022613 | 0.354386 | -0.258985 | 0.123799 | -0.031135 | -0.076208 | -0.130909 | -0.347694 | 0.000000 | 0.000000 | 0.000000 |
| 10.471000 | -0.001831 | -0.124283 | 0.614281 | -0.541195 | 0.267020 | -0.067648 | -0.181953 | -0.344528 | -0.261016 | 0.000000 | 0.000000 | 0.000000 |
| 5.823820 | -0.001460 | -0.054101 | 0.263949 | -0.090073 | 0.023439 | -0.004997 | 0.005651 | 0.066595 | -0.237384 | 1.000000 | 0.000000 | 0.000000 |
| 3.165570 | -0.000033 | -0.003141 | 0.026332 | 0.597779 | -0.399539 | 0.106962 | 0.257747 | 0.455345 | 1.650930 | 0.000000 | 1.000000 | 0.000000 |
| 1.694950 | 0.000203 | 0.002642 | -0.000227 | 0.519353 | -0.398345 | 0.111527 | 0.363321 | 0.821675 | -0.265529 | 0.000000 | 0.000000 | 0.000000 |
| 0.855211 | 0.000033 | 0.000527 | -0.000482 | 0.117064 | 0.189143 | -0.068156 | -0.399146 | -1.718940 | -3.416580 | 0.000000 | 0.000000 | 0.000000 |
| 0.435679 | 0.000010 | 0.000101 | 0.000088 | 0.022996 | 0.599734 | -0.219230 | -0.623558 | -0.324046 | 4.567680 | 0.000000 | 0.000000 | 0.000000 |
| 0.214752 | 0.000000 | 0.000023 | -0.000025 | 0.015203 | 0.388909 | -0.209794 | 0.114827 | 1.807710 | -2.091480 | 0.000000 | 0.000000 | 0.000000 |
| 0.092971 | 0.000001 | 0.000008 | 0.000027 | 0.001707 | 0.064894 | 0.181132 | 0.719009 | -0.475471 | -0.585934 | 0.000000 | 0.000000 | 0.000000 |
| 0.040877 | -0.000000 | -0.000002 | -0.000008 | 0.000172 | -0.000298 | 0.644682 | 0.334894 | -0.615523 | 0.951755 | 0.000000 | 0.000000 | 0.000000 |
| 0.017585 | 0.000000 | 0.000001 | 0.000003 | -0.000020 | 0.001113 | 0.340905 | 0.003986 | 0.005911 | -0.035738 | 0.000000 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)