MOLPRO Basis Query, element=Np, basis=cc-pwCVTZ-DK3, l=p
Basis Np p cc-pwCVTZ-DK3
| Primitives | Contractions... |
|---|
| 53714756.000000 | 0.000021 | -0.000025 | 0.000003 | -0.000004 | 0.000002 | 0.000000 | -0.000001 | -0.000002 | -0.000003 | 0.000000 | 0.000000 | 0.000000 |
| 15938559.000000 | 0.000025 | -0.000030 | 0.000003 | -0.000004 | 0.000002 | -0.000000 | -0.000001 | -0.000002 | -0.000003 | 0.000000 | 0.000000 | 0.000000 |
| 5091126.200000 | 0.000074 | -0.000090 | 0.000009 | -0.000013 | 0.000006 | -0.000001 | -0.000004 | -0.000006 | -0.000009 | 0.000000 | 0.000000 | 0.000000 |
| 1741234.700000 | 0.000140 | -0.000170 | 0.000017 | -0.000024 | 0.000011 | -0.000003 | -0.000007 | -0.000012 | -0.000017 | 0.000000 | 0.000000 | 0.000000 |
| 628630.940000 | 0.000315 | -0.000383 | 0.000039 | -0.000055 | 0.000024 | -0.000006 | -0.000017 | -0.000027 | -0.000039 | 0.000000 | 0.000000 | 0.000000 |
| 237671.520000 | 0.000663 | -0.000807 | 0.000083 | -0.000115 | 0.000052 | -0.000012 | -0.000036 | -0.000057 | -0.000081 | 0.000000 | 0.000000 | 0.000000 |
| 93647.725000 | 0.001473 | -0.001800 | 0.000186 | -0.000258 | 0.000116 | -0.000027 | -0.000080 | -0.000128 | -0.000185 | 0.000000 | 0.000000 | 0.000000 |
| 38376.795000 | 0.003304 | -0.004056 | 0.000424 | -0.000583 | 0.000261 | -0.000062 | -0.000180 | -0.000290 | -0.000407 | 0.000000 | 0.000000 | 0.000000 |
| 16359.166000 | 0.007645 | -0.009451 | 0.001002 | -0.001366 | 0.000612 | -0.000144 | -0.000421 | -0.000680 | -0.000988 | 0.000000 | 0.000000 | 0.000000 |
| 7263.996200 | 0.017825 | -0.022263 | 0.002412 | -0.003245 | 0.001454 | -0.000342 | -0.001002 | -0.001613 | -0.002243 | 0.000000 | 0.000000 | 0.000000 |
| 3361.963200 | 0.041024 | -0.052097 | 0.005831 | -0.007689 | 0.003446 | -0.000812 | -0.002372 | -0.003832 | -0.005625 | 0.000000 | 0.000000 | 0.000000 |
| 1619.541800 | 0.088149 | -0.114851 | 0.013507 | -0.017298 | 0.007748 | -0.001825 | -0.005341 | -0.008592 | -0.011801 | 0.000000 | 0.000000 | 0.000000 |
| 808.539610 | 0.163459 | -0.220832 | 0.027690 | -0.034145 | 0.015302 | -0.003605 | -0.010528 | -0.017043 | -0.025542 | 0.000000 | 0.000000 | 0.000000 |
| 416.185870 | 0.231310 | -0.322309 | 0.042666 | -0.051074 | 0.022863 | -0.005386 | -0.015783 | -0.025312 | -0.032971 | 0.000000 | 0.000000 | 0.000000 |
| 220.330760 | 0.220992 | -0.245936 | 0.016767 | -0.030245 | 0.013576 | -0.003195 | -0.009259 | -0.015267 | -0.029341 | 0.000000 | 0.000000 | 0.000000 |
| 119.311160 | 0.176363 | 0.129735 | -0.116013 | 0.075154 | -0.033879 | 0.008015 | 0.023357 | 0.038944 | 0.075111 | 0.000000 | 0.000000 | 0.000000 |
| 66.184721 | 0.192696 | 0.525061 | -0.318886 | 0.227965 | -0.102795 | 0.024323 | 0.071921 | 0.115693 | 0.131015 | 0.000000 | 0.000000 | 0.000000 |
| 37.146854 | 0.142705 | 0.415552 | -0.198948 | 0.136164 | -0.060722 | 0.014328 | 0.040989 | 0.069154 | 0.173500 | 0.000000 | 0.000000 | 0.000000 |
| 20.657144 | 0.036617 | 0.023961 | 0.350150 | -0.267899 | 0.129683 | -0.031211 | -0.091844 | -0.164415 | -0.420006 | 0.000000 | 0.000000 | 0.000000 |
| 11.593101 | -0.000482 | -0.132772 | 0.619308 | -0.572700 | 0.285066 | -0.068782 | -0.207971 | -0.335135 | -0.230576 | 0.000000 | 0.000000 | 0.000000 |
| 6.463629 | -0.000885 | -0.056933 | 0.263096 | -0.076740 | 0.013349 | -0.002438 | 0.005370 | 0.016768 | -0.356604 | 1.000000 | 0.000000 | 0.000000 |
| 3.529140 | -0.000029 | -0.003421 | 0.027055 | 0.628878 | -0.434389 | 0.111893 | 0.332454 | 0.661054 | 2.237410 | 0.000000 | 1.000000 | 0.000000 |
| 1.890684 | 0.000169 | 0.002330 | 0.001307 | 0.503460 | -0.377677 | 0.100207 | 0.371850 | 0.591854 | -1.378330 | 0.000000 | 0.000000 | 0.000000 |
| 0.944809 | 0.000016 | 0.000412 | -0.000135 | 0.105807 | 0.238364 | -0.082185 | -0.565180 | -1.846600 | -2.281410 | 0.000000 | 0.000000 | 0.000000 |
| 0.476223 | 0.000010 | 0.000089 | 0.000153 | 0.022531 | 0.598497 | -0.208900 | -0.573500 | 0.149290 | 4.087510 | 0.000000 | 0.000000 | 0.000000 |
| 0.232415 | -0.000001 | 0.000015 | 0.000012 | 0.014481 | 0.361455 | -0.179361 | 0.268585 | 1.560690 | -2.308500 | 0.000000 | 0.000000 | 0.000000 |
| 0.098504 | 0.000001 | 0.000008 | 0.000029 | 0.001446 | 0.055230 | 0.189814 | 0.691469 | -0.610604 | -0.233206 | 0.000000 | 0.000000 | 0.000000 |
| 0.042736 | -0.000001 | -0.000002 | -0.000008 | 0.000157 | -0.000711 | 0.629063 | 0.255914 | -0.532198 | 0.814518 | 0.000000 | 0.000000 | 0.000000 |
| 0.018126 | 0.000000 | 0.000001 | 0.000003 | -0.000022 | 0.001016 | 0.342769 | 0.002700 | 0.007713 | -0.027929 | 0.000000 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
| 