MOLPRO Basis Query, element=Lr, basis=cc-pwCVTZ-DK3, l=s
Basis Lr s cc-pwCVTZ-DK3
| Primitives | Contractions... |
|---|
| 54611850.000000 | 0.004332 | 0.000003 | 0.001696 | -0.000236 | 0.000262 | -0.000117 | 0.000056 | 0.000108 | -0.000136 | -0.000177 | 0.000000 | 0.000000 | 0.000000 |
| 14530888.000000 | 0.003518 | 0.000004 | 0.001376 | -0.000191 | 0.000212 | -0.000095 | 0.000046 | 0.000088 | -0.000110 | -0.000143 | 0.000000 | 0.000000 | 0.000000 |
| 4957226.400000 | 0.010199 | 0.000004 | 0.003998 | -0.000556 | 0.000617 | -0.000275 | 0.000133 | 0.000256 | -0.000320 | -0.000416 | 0.000000 | 0.000000 | 0.000000 |
| 1875209.400000 | 0.011771 | -0.000003 | 0.004625 | -0.000644 | 0.000715 | -0.000318 | 0.000154 | 0.000296 | -0.000370 | -0.000481 | 0.000000 | 0.000000 | 0.000000 |
| 777966.220000 | 0.023095 | -0.000042 | 0.009123 | -0.001272 | 0.001411 | -0.000628 | 0.000304 | 0.000584 | -0.000731 | -0.000952 | 0.000000 | 0.000000 | 0.000000 |
| 342117.130000 | 0.029595 | -0.000126 | 0.011786 | -0.001649 | 0.001826 | -0.000813 | 0.000393 | 0.000757 | -0.000946 | -0.001228 | 0.000000 | 0.000000 | 0.000000 |
| 158779.560000 | 0.049615 | -0.000378 | 0.019982 | -0.002807 | 0.003104 | -0.001382 | 0.000668 | 0.001285 | -0.001608 | -0.002099 | 0.000000 | 0.000000 | 0.000000 |
| 76722.763000 | 0.065293 | -0.000857 | 0.026775 | -0.003785 | 0.004174 | -0.001858 | 0.000898 | 0.001731 | -0.002161 | -0.002795 | 0.000000 | 0.000000 | 0.000000 |
| 38475.861000 | 0.100174 | -0.002000 | 0.042003 | -0.005986 | 0.006580 | -0.002930 | 0.001416 | 0.002720 | -0.003414 | -0.004486 | 0.000000 | 0.000000 | 0.000000 |
| 19889.340000 | 0.129244 | -0.004012 | 0.056124 | -0.008093 | 0.008853 | -0.003941 | 0.001905 | 0.003680 | -0.004575 | -0.005845 | 0.000000 | 0.000000 | 0.000000 |
| 10576.731000 | 0.179669 | -0.007944 | 0.081290 | -0.011903 | 0.012941 | -0.005762 | 0.002784 | 0.005329 | -0.006737 | -0.009042 | 0.000000 | 0.000000 | 0.000000 |
| 5774.038900 | 0.205134 | -0.013013 | 0.098231 | -0.014647 | 0.015809 | -0.007037 | 0.003404 | 0.006627 | -0.008121 | -0.009919 | 0.000000 | 0.000000 | 0.000000 |
| 3235.037700 | 0.226794 | -0.017018 | 0.112261 | -0.016942 | 0.018198 | -0.008103 | 0.003911 | 0.007358 | -0.009604 | -0.014035 | 0.000000 | 0.000000 | 0.000000 |
| 1855.435100 | 0.171557 | -0.006037 | 0.073029 | -0.009870 | 0.011093 | -0.004933 | 0.002398 | 0.004994 | -0.005358 | -0.003563 | 0.000000 | 0.000000 | 0.000000 |
| 1084.752700 | 0.097416 | 0.039942 | -0.032976 | 0.012399 | -0.010186 | 0.004535 | -0.002225 | -0.005111 | 0.004591 | -0.001003 | 0.000000 | 0.000000 | 0.000000 |
| 640.926840 | -0.015285 | 0.134877 | -0.269151 | 0.071492 | -0.063859 | 0.028513 | -0.013739 | -0.024987 | 0.035055 | 0.060017 | 0.000000 | 0.000000 | 0.000000 |
| 381.528230 | -0.044814 | 0.205271 | -0.518637 | 0.156648 | -0.136018 | 0.060802 | -0.029556 | -0.060187 | 0.069012 | 0.065069 | 0.000000 | 0.000000 | 0.000000 |
| 226.983130 | -0.048914 | 0.164038 | -0.530552 | 0.181193 | -0.154065 | 0.069219 | -0.033331 | -0.059250 | 0.086907 | 0.161566 | 0.000000 | 0.000000 | 0.000000 |
| 135.082680 | -0.034654 | 0.125235 | -0.021540 | -0.050321 | 0.033673 | -0.015666 | 0.007251 | 0.004294 | -0.027088 | -0.117725 | 0.000000 | 0.000000 | 0.000000 |
| 81.388779 | -0.094113 | 0.230836 | 0.636050 | -0.592064 | 0.488946 | -0.229122 | 0.112585 | 0.241378 | -0.276591 | -0.256226 | 0.000000 | 0.000000 | 0.000000 |
| 48.690034 | -0.074429 | 0.199523 | 0.619092 | -0.679591 | 0.566290 | -0.268312 | 0.130085 | 0.232592 | -0.370090 | -0.756213 | 0.000000 | 0.000000 | 0.000000 |
| 28.752831 | -0.024426 | 0.055914 | 0.120831 | 0.137139 | -0.139434 | 0.068100 | -0.031309 | -0.039634 | 0.228931 | 0.961740 | 0.000000 | 0.000000 | 0.000000 |
| 17.378792 | 0.003022 | 0.001319 | -0.120324 | 0.838569 | -1.175970 | 0.687450 | -0.351560 | -0.804572 | 0.825264 | 0.206867 | 0.000000 | 0.000000 | 0.000000 |
| 10.448182 | -0.001130 | 0.000297 | -0.068210 | 0.434222 | -0.763177 | 0.453531 | -0.223853 | -0.362448 | 0.883218 | 2.901310 | 0.000000 | 0.000000 | 0.000000 |
| 6.355541 | 0.001293 | -0.000369 | -0.009276 | 0.092798 | 0.629455 | -0.568830 | 0.296043 | 0.617818 | -1.666860 | -6.080770 | 0.000000 | 0.000000 | 0.000000 |
| 3.675209 | -0.000725 | 0.000408 | -0.002041 | 0.048846 | 0.870157 | -0.933805 | 0.534819 | 1.813780 | -2.402910 | -0.337710 | 0.000000 | 0.000000 | 0.000000 |
| 2.070885 | 0.000340 | -0.000047 | 0.000061 | 0.011631 | 0.245523 | -0.208321 | 0.099585 | -1.048710 | 3.373350 | 9.906470 | 0.000000 | 0.000000 | 0.000000 |
| 1.150589 | -0.000192 | 0.000061 | -0.000243 | 0.001633 | 0.037642 | 0.600437 | -0.385115 | -1.597380 | 2.069110 | -9.479900 | 0.000000 | 0.000000 | 0.000000 |
| 0.624879 | 0.000091 | -0.000024 | 0.000052 | 0.000488 | 0.028114 | 0.578887 | -0.583261 | -0.163827 | -4.359170 | 0.568251 | 0.000000 | 0.000000 | 0.000000 |
| 0.334515 | -0.000035 | 0.000010 | -0.000047 | 0.000229 | 0.006603 | 0.146402 | -0.219512 | 1.570980 | 0.581789 | 4.382200 | 0.000000 | 0.000000 | 0.000000 |
| 0.127706 | 0.000011 | -0.000003 | 0.000009 | -0.000006 | 0.001907 | 0.104325 | 0.512530 | 0.641938 | 2.355760 | -3.188430 | 0.000000 | 0.000000 | 0.000000 |
| 0.060938 | -0.000006 | 0.000002 | -0.000008 | 0.000019 | 0.001654 | 0.112125 | 0.594406 | -0.852224 | -1.110250 | 0.555342 | 0.000000 | 0.000000 | 0.000000 |
| 0.028567 | 0.000001 | -0.000000 | 0.000001 | 0.000000 | 0.000476 | 0.029276 | 0.152910 | -0.293334 | -0.479951 | 0.664760 | 1.000000 | 0.000000 | 0.000000 |
| 11.593957 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 3.348523 | 0.000000 | 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: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)