MOLPRO Basis Query, element=Np, basis=cc-pwCVQZ-DK3, l=p
Basis Np p cc-pwCVQZ-DK3
| Primitives | Contractions... |
|---|
| 78696967.000000 | 0.000016 | -0.000020 | 0.000002 | -0.000003 | 0.000001 | -0.000000 | -0.000001 | -0.000001 | -0.000002 | -0.000002 | 0.000000 | 0.000000 | 0.000000 |
| 29956876.000000 | 0.000007 | -0.000008 | 0.000001 | -0.000001 | 0.000001 | -0.000000 | -0.000000 | -0.000001 | -0.000001 | -0.000001 | 0.000000 | 0.000000 | 0.000000 |
| 11500905.000000 | 0.000041 | -0.000049 | 0.000005 | -0.000007 | 0.000003 | -0.000001 | -0.000002 | -0.000003 | -0.000005 | -0.000006 | 0.000000 | 0.000000 | 0.000000 |
| 4602192.700000 | 0.000051 | -0.000062 | 0.000006 | -0.000009 | 0.000004 | -0.000001 | -0.000003 | -0.000004 | -0.000006 | -0.000007 | 0.000000 | 0.000000 | 0.000000 |
| 1906054.800000 | 0.000121 | -0.000147 | 0.000015 | -0.000021 | 0.000009 | -0.000002 | -0.000006 | -0.000010 | -0.000015 | -0.000017 | 0.000000 | 0.000000 | 0.000000 |
| 813916.540000 | 0.000204 | -0.000247 | 0.000025 | -0.000035 | 0.000016 | -0.000004 | -0.000011 | -0.000017 | -0.000025 | -0.000028 | 0.000000 | 0.000000 | 0.000000 |
| 356929.060000 | 0.000413 | -0.000501 | 0.000052 | -0.000072 | 0.000032 | -0.000008 | -0.000022 | -0.000036 | -0.000051 | -0.000057 | 0.000000 | 0.000000 | 0.000000 |
| 160358.190000 | 0.000774 | -0.000940 | 0.000098 | -0.000135 | 0.000060 | -0.000014 | -0.000042 | -0.000067 | -0.000094 | -0.000109 | 0.000000 | 0.000000 | 0.000000 |
| 73736.175000 | 0.001553 | -0.001892 | 0.000198 | -0.000272 | 0.000122 | -0.000029 | -0.000084 | -0.000136 | -0.000196 | -0.000218 | 0.000000 | 0.000000 | 0.000000 |
| 34702.671000 | 0.003110 | -0.003806 | 0.000401 | -0.000548 | 0.000246 | -0.000058 | -0.000169 | -0.000271 | -0.000382 | -0.000444 | 0.000000 | 0.000000 | 0.000000 |
| 16726.694000 | 0.006453 | -0.007944 | 0.000848 | -0.001150 | 0.000516 | -0.000121 | -0.000356 | -0.000576 | -0.000836 | -0.000920 | 0.000000 | 0.000000 | 0.000000 |
| 8268.546000 | 0.013479 | -0.016739 | 0.001819 | -0.002439 | 0.001093 | -0.000257 | -0.000752 | -0.001202 | -0.001683 | -0.001981 | 0.000000 | 0.000000 | 0.000000 |
| 4198.150300 | 0.028182 | -0.035443 | 0.003950 | -0.005219 | 0.002339 | -0.000551 | -0.001615 | -0.002622 | -0.003833 | -0.004169 | 0.000000 | 0.000000 | 0.000000 |
| 2190.543400 | 0.056850 | -0.072908 | 0.008436 | -0.010891 | 0.004878 | -0.001149 | -0.003356 | -0.005348 | -0.007423 | -0.008881 | 0.000000 | 0.000000 | 0.000000 |
| 1173.680700 | 0.105597 | -0.139140 | 0.016925 | -0.021235 | 0.009517 | -0.002241 | -0.006577 | -0.010726 | -0.015876 | -0.016930 | 0.000000 | 0.000000 | 0.000000 |
| 644.200000 | 0.168313 | -0.229658 | 0.029689 | -0.035931 | 0.016083 | -0.003788 | -0.011052 | -0.017477 | -0.023724 | -0.029573 | 0.000000 | 0.000000 | 0.000000 |
| 361.449950 | 0.210040 | -0.289927 | 0.038178 | -0.045812 | 0.020541 | -0.004839 | -0.014252 | -0.023689 | -0.036790 | -0.035862 | 0.000000 | 0.000000 | 0.000000 |
| 206.379040 | 0.192341 | -0.195067 | 0.007633 | -0.020774 | 0.009241 | -0.002170 | -0.006159 | -0.008271 | -0.005222 | -0.018296 | 0.000000 | 0.000000 | 0.000000 |
| 119.392090 | 0.157578 | 0.115063 | -0.103164 | 0.066505 | -0.029775 | 0.007037 | 0.020307 | 0.029707 | 0.030245 | 0.062827 | 0.000000 | 0.000000 | 0.000000 |
| 70.324718 | 0.170929 | 0.451455 | -0.273867 | 0.195931 | -0.088760 | 0.021010 | 0.062588 | 0.108674 | 0.186683 | 0.166622 | 0.000000 | 0.000000 | 0.000000 |
| 41.814741 | 0.145868 | 0.433594 | -0.242403 | 0.167772 | -0.074601 | 0.017610 | 0.050361 | 0.069645 | 0.051312 | 0.156322 | 0.000000 | 0.000000 | 0.000000 |
| 24.733349 | 0.057424 | 0.120803 | 0.153555 | -0.115230 | 0.054973 | -0.013227 | -0.037834 | -0.046589 | -0.004032 | -0.221532 | 0.000000 | 0.000000 | 0.000000 |
| 14.522132 | 0.005849 | -0.101859 | 0.552636 | -0.472776 | 0.234672 | -0.056614 | -0.172583 | -0.323854 | -0.650073 | -0.487479 | 0.000000 | 0.000000 | 0.000000 |
| 8.580574 | -0.001268 | -0.092934 | 0.424286 | -0.384114 | 0.185241 | -0.044508 | -0.125524 | -0.147420 | 0.056677 | -0.324084 | 1.000000 | 0.000000 | 0.000000 |
| 4.986854 | -0.000350 | -0.023073 | 0.110176 | 0.264567 | -0.184320 | 0.046657 | 0.141494 | 0.200257 | 0.075134 | 1.010390 | 0.000000 | 1.000000 | 0.000000 |
| 2.844486 | 0.000137 | 0.001509 | 0.007366 | 0.627582 | -0.453836 | 0.118897 | 0.376477 | 0.826684 | 2.362530 | 2.675210 | 0.000000 | 0.000000 | 0.000000 |
| 1.605480 | 0.000087 | 0.001317 | 0.000890 | 0.337064 | -0.231119 | 0.059776 | 0.225055 | 0.119341 | -2.803070 | -7.681330 | 0.000000 | 0.000000 | 0.000000 |
| 0.885531 | 0.000023 | 0.000423 | -0.000209 | 0.070094 | 0.276597 | -0.092816 | -0.624221 | -1.759670 | -1.055500 | 7.640440 | 0.000000 | 0.000000 | 0.000000 |
| 0.477693 | 0.000001 | -0.000002 | 0.000180 | 0.023046 | 0.528081 | -0.183326 | -0.461401 | 0.129842 | 3.580630 | -2.539570 | 0.000000 | 0.000000 | 0.000000 |
| 0.256692 | 0.000003 | 0.000060 | -0.000014 | 0.013033 | 0.353086 | -0.172807 | 0.081274 | 1.465600 | -1.486030 | -2.382460 | 0.000000 | 0.000000 | 0.000000 |
| 0.133523 | -0.000000 | -0.000011 | 0.000048 | 0.003309 | 0.093365 | 0.028701 | 0.545960 | -0.019188 | -1.143370 | 3.121030 | 0.000000 | 0.000000 | 0.000000 |
| 0.063613 | 0.000000 | 0.000008 | -0.000012 | 0.000261 | 0.008525 | 0.411847 | 0.473390 | -0.793932 | 0.827687 | -0.931813 | 0.000000 | 0.000000 | 0.000000 |
| 0.030441 | -0.000000 | -0.000003 | 0.000006 | 0.000039 | 0.001104 | 0.530715 | 0.066866 | -0.135811 | 0.245303 | -0.372016 | 0.000000 | 0.000000 | 0.000000 |
| 0.014377 | 0.000000 | 0.000001 | -0.000002 | -0.000003 | -0.000048 | 0.170253 | 0.003693 | -0.006258 | -0.000450 | -0.009851 | 0.000000 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)