MOLPRO Basis Query, element=U, basis=cc-pwCVTZ-DK3, l=s
Basis U s cc-pwCVTZ-DK3
| Primitives | Contractions... |
|---|
| 56688627.000000 | 0.002043 | -0.000772 | 0.000769 | -0.000123 | 0.000109 | -0.000049 | 0.000022 | 0.000041 | -0.000053 | -0.000068 | 0.000000 | 0.000000 | 0.000000 |
| 15089297.000000 | 0.001777 | -0.000671 | 0.000668 | -0.000107 | 0.000095 | -0.000043 | 0.000019 | 0.000036 | -0.000046 | -0.000059 | 0.000000 | 0.000000 | 0.000000 |
| 5160475.200000 | 0.005133 | -0.001942 | 0.001934 | -0.000309 | 0.000274 | -0.000124 | 0.000056 | 0.000104 | -0.000134 | -0.000171 | 0.000000 | 0.000000 | 0.000000 |
| 1961614.300000 | 0.006336 | -0.002402 | 0.002394 | -0.000382 | 0.000340 | -0.000153 | 0.000069 | 0.000128 | -0.000166 | -0.000212 | 0.000000 | 0.000000 | 0.000000 |
| 817952.530000 | 0.012458 | -0.004740 | 0.004730 | -0.000756 | 0.000671 | -0.000303 | 0.000136 | 0.000253 | -0.000328 | -0.000419 | 0.000000 | 0.000000 | 0.000000 |
| 361558.030000 | 0.017045 | -0.006528 | 0.006524 | -0.001045 | 0.000927 | -0.000418 | 0.000188 | 0.000350 | -0.000453 | -0.000579 | 0.000000 | 0.000000 | 0.000000 |
| 168272.560000 | 0.028968 | -0.011189 | 0.011205 | -0.001801 | 0.001596 | -0.000720 | 0.000324 | 0.000602 | -0.000780 | -0.000998 | 0.000000 | 0.000000 | 0.000000 |
| 81257.576000 | 0.041214 | -0.016144 | 0.016221 | -0.002619 | 0.002317 | -0.001045 | 0.000470 | 0.000876 | -0.001131 | -0.001446 | 0.000000 | 0.000000 | 0.000000 |
| 40487.578000 | 0.065373 | -0.026070 | 0.026312 | -0.004276 | 0.003775 | -0.001702 | 0.000765 | 0.001422 | -0.001845 | -0.002362 | 0.000000 | 0.000000 | 0.000000 |
| 20659.489000 | 0.093683 | -0.038448 | 0.039070 | -0.006408 | 0.005638 | -0.002542 | 0.001143 | 0.002137 | -0.002752 | -0.003514 | 0.000000 | 0.000000 | 0.000000 |
| 10754.051000 | 0.138981 | -0.059267 | 0.060805 | -0.010109 | 0.008854 | -0.003993 | 0.001795 | 0.003326 | -0.004333 | -0.005556 | 0.000000 | 0.000000 | 0.000000 |
| 5689.849800 | 0.185008 | -0.083720 | 0.087134 | -0.014763 | 0.012846 | -0.005792 | 0.002606 | 0.004893 | -0.006266 | -0.007989 | 0.000000 | 0.000000 | 0.000000 |
| 3054.738800 | 0.225994 | -0.110133 | 0.116824 | -0.020318 | 0.017525 | -0.007908 | 0.003554 | 0.006534 | -0.008601 | -0.011065 | 0.000000 | 0.000000 | 0.000000 |
| 1661.710600 | 0.211096 | -0.108962 | 0.117059 | -0.020663 | 0.017732 | -0.007993 | 0.003600 | 0.006894 | -0.008610 | -0.010903 | 0.000000 | 0.000000 | 0.000000 |
| 914.401130 | 0.136879 | -0.041182 | 0.032226 | -0.002786 | 0.003227 | -0.001458 | 0.000642 | 0.000794 | -0.001671 | -0.002319 | 0.000000 | 0.000000 | 0.000000 |
| 505.672650 | 0.049521 | 0.123549 | -0.219475 | 0.061490 | -0.046311 | 0.021011 | -0.009429 | -0.016770 | 0.023206 | 0.030405 | 0.000000 | 0.000000 | 0.000000 |
| 285.403990 | 0.029281 | 0.259281 | -0.552170 | 0.175066 | -0.128571 | 0.058344 | -0.026337 | -0.051055 | 0.063419 | 0.081072 | 0.000000 | 0.000000 | 0.000000 |
| 162.928890 | 0.021087 | 0.206454 | -0.581045 | 0.214192 | -0.153951 | 0.070335 | -0.031564 | -0.055381 | 0.078302 | 0.102923 | 0.000000 | 0.000000 | 0.000000 |
| 93.609383 | 0.008268 | 0.136575 | 0.000112 | -0.056359 | 0.033787 | -0.016010 | 0.006958 | 0.005333 | -0.020359 | -0.030534 | 0.000000 | 0.000000 | 0.000000 |
| 55.811596 | -0.003722 | 0.235634 | 0.695381 | -0.656962 | 0.468235 | -0.220856 | 0.100758 | 0.207214 | -0.251675 | -0.339108 | 0.000000 | 0.000000 | 0.000000 |
| 32.957255 | -0.001521 | 0.183969 | 0.587835 | -0.665153 | 0.475850 | -0.227204 | 0.102199 | 0.168230 | -0.265229 | -0.352484 | 0.000000 | 0.000000 | 0.000000 |
| 19.148698 | -0.000888 | 0.043619 | 0.086819 | 0.239324 | -0.200585 | 0.099029 | -0.043296 | -0.043462 | 0.157037 | 0.281792 | 0.000000 | 0.000000 | 0.000000 |
| 11.424216 | 0.002050 | 0.001791 | -0.111700 | 0.867589 | -1.042550 | 0.589746 | -0.279687 | -0.645062 | 0.765220 | 1.122640 | 0.000000 | 0.000000 | 0.000000 |
| 6.746272 | 0.000130 | 0.000671 | -0.053796 | 0.405749 | -0.647314 | 0.379544 | -0.172632 | -0.196266 | 0.444664 | 0.302786 | 1.000000 | 0.000000 | 0.000000 |
| 4.036519 | 0.000417 | -0.000107 | -0.006176 | 0.055405 | 0.585117 | -0.472837 | 0.222777 | 0.307333 | -0.904378 | -1.118420 | 0.000000 | 1.000000 | 0.000000 |
| 2.321731 | -0.000224 | 0.000411 | 0.000047 | 0.018447 | 0.847865 | -0.872158 | 0.471505 | 1.520880 | -2.021520 | -5.481590 | 0.000000 | 0.000000 | 0.000000 |
| 1.312031 | 0.000145 | -0.000018 | 0.000225 | 0.002931 | 0.237239 | -0.325688 | 0.147506 | -0.284468 | 0.717993 | 12.356500 | 0.000000 | 0.000000 | 0.000000 |
| 0.819487 | -0.000085 | 0.000060 | -0.000042 | 0.000652 | 0.032876 | 0.489340 | -0.276018 | -1.460340 | 4.670750 | -6.190120 | 0.000000 | 0.000000 | 0.000000 |
| 0.440565 | 0.000030 | -0.000014 | 0.000019 | -0.000440 | 0.031681 | 0.692060 | -0.563598 | -1.033000 | -4.132550 | -4.790750 | 0.000000 | 0.000000 | 0.000000 |
| 0.228416 | -0.000010 | 0.000007 | -0.000008 | -0.000025 | 0.009574 | 0.232726 | -0.283007 | 1.764600 | -0.475915 | 5.913840 | 0.000000 | 0.000000 | 0.000000 |
| 0.074821 | 0.000003 | -0.000002 | 0.000002 | -0.000049 | 0.001456 | 0.081277 | 0.419586 | 0.908399 | 2.653190 | -2.506300 | 0.000000 | 0.000000 | 0.000000 |
| 0.037306 | -0.000002 | 0.000001 | -0.000001 | -0.000026 | 0.001227 | 0.101216 | 0.612406 | -0.942830 | -1.121110 | -0.144915 | 0.000000 | 0.000000 | 0.000000 |
| 0.017804 | 0.000000 | -0.000000 | 0.000000 | -0.000015 | 0.000477 | 0.033354 | 0.194727 | -0.339547 | -0.561274 | 0.985677 | 0.000000 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)