MOLPRO Basis Query, element=Pa, basis=cc-pwCVTZ-DK3, l=p
Basis Pa p cc-pwCVTZ-DK3
| Primitives | Contractions... |
|---|
| 52575799.000000 | 0.000019 | -0.000022 | 0.000003 | -0.000003 | 0.000001 | -0.000000 | -0.000001 | -0.000002 | -0.000002 | 0.000000 | 0.000000 | 0.000000 |
| 15301659.000000 | 0.000024 | -0.000028 | 0.000003 | -0.000004 | 0.000002 | -0.000000 | -0.000001 | -0.000002 | -0.000003 | 0.000000 | 0.000000 | 0.000000 |
| 4822461.600000 | 0.000069 | -0.000083 | 0.000010 | -0.000012 | 0.000005 | -0.000001 | -0.000003 | -0.000006 | -0.000008 | 0.000000 | 0.000000 | 0.000000 |
| 1632045.600000 | 0.000134 | -0.000160 | 0.000019 | -0.000022 | 0.000010 | -0.000002 | -0.000007 | -0.000011 | -0.000015 | 0.000000 | 0.000000 | 0.000000 |
| 584338.640000 | 0.000304 | -0.000364 | 0.000042 | -0.000051 | 0.000023 | -0.000005 | -0.000015 | -0.000025 | -0.000035 | 0.000000 | 0.000000 | 0.000000 |
| 219508.320000 | 0.000647 | -0.000777 | 0.000091 | -0.000109 | 0.000049 | -0.000012 | -0.000032 | -0.000053 | -0.000074 | 0.000000 | 0.000000 | 0.000000 |
| 86085.039000 | 0.001453 | -0.001750 | 0.000206 | -0.000246 | 0.000110 | -0.000026 | -0.000072 | -0.000120 | -0.000170 | 0.000000 | 0.000000 | 0.000000 |
| 35172.956000 | 0.003300 | -0.003994 | 0.000473 | -0.000564 | 0.000253 | -0.000061 | -0.000164 | -0.000276 | -0.000379 | 0.000000 | 0.000000 | 0.000000 |
| 14975.745000 | 0.007723 | -0.009414 | 0.001130 | -0.001337 | 0.000599 | -0.000144 | -0.000389 | -0.000654 | -0.000932 | 0.000000 | 0.000000 | 0.000000 |
| 6652.821900 | 0.018193 | -0.022406 | 0.002740 | -0.003210 | 0.001437 | -0.000345 | -0.000935 | -0.001571 | -0.002134 | 0.000000 | 0.000000 | 0.000000 |
| 3084.270200 | 0.042170 | -0.052818 | 0.006653 | -0.007664 | 0.003431 | -0.000824 | -0.002229 | -0.003746 | -0.005403 | 0.000000 | 0.000000 | 0.000000 |
| 1489.211300 | 0.090817 | -0.116759 | 0.015378 | -0.017293 | 0.007737 | -0.001857 | -0.005039 | -0.008467 | -0.011344 | 0.000000 | 0.000000 | 0.000000 |
| 745.288670 | 0.167656 | -0.223675 | 0.031242 | -0.034038 | 0.015236 | -0.003658 | -0.009894 | -0.016630 | -0.024550 | 0.000000 | 0.000000 | 0.000000 |
| 384.521300 | 0.234335 | -0.322294 | 0.047227 | -0.050240 | 0.022464 | -0.005392 | -0.014658 | -0.024639 | -0.031081 | 0.000000 | 0.000000 | 0.000000 |
| 203.927220 | 0.219969 | -0.236594 | 0.017912 | -0.027775 | 0.012457 | -0.002989 | -0.007979 | -0.013376 | -0.026696 | 0.000000 | 0.000000 | 0.000000 |
| 110.523340 | 0.174849 | 0.144783 | -0.122974 | 0.078055 | -0.035118 | 0.008470 | 0.022762 | 0.038624 | 0.074398 | 0.000000 | 0.000000 | 0.000000 |
| 61.345569 | 0.191146 | 0.527162 | -0.327410 | 0.225234 | -0.101380 | 0.024432 | 0.067088 | 0.114098 | 0.122627 | 0.000000 | 0.000000 | 0.000000 |
| 34.404375 | 0.137654 | 0.400928 | -0.190189 | 0.124107 | -0.055130 | 0.013266 | 0.034676 | 0.057529 | 0.158172 | 0.000000 | 0.000000 | 0.000000 |
| 19.094147 | 0.033446 | 0.019444 | 0.365250 | -0.273398 | 0.131575 | -0.032261 | -0.086637 | -0.152711 | -0.396719 | 0.000000 | 0.000000 | 0.000000 |
| 10.684628 | -0.000968 | -0.122698 | 0.614511 | -0.553848 | 0.274246 | -0.067372 | -0.190694 | -0.335337 | -0.217338 | 0.000000 | 0.000000 | 0.000000 |
| 5.931463 | -0.000978 | -0.050980 | 0.253732 | -0.065400 | 0.008755 | -0.001388 | 0.011165 | 0.054060 | -0.310675 | 1.000000 | 0.000000 | 0.000000 |
| 3.230992 | -0.000011 | -0.002723 | 0.025246 | 0.618467 | -0.421565 | 0.110496 | 0.295554 | 0.556644 | 1.976280 | 0.000000 | 1.000000 | 0.000000 |
| 1.730655 | 0.000166 | 0.002233 | 0.001447 | 0.501115 | -0.381951 | 0.103163 | 0.357960 | 0.705623 | -0.902813 | 0.000000 | 0.000000 | 0.000000 |
| 0.869483 | 0.000022 | 0.000423 | -0.000191 | 0.107385 | 0.226110 | -0.077537 | -0.483733 | -1.835960 | -2.796330 | 0.000000 | 0.000000 | 0.000000 |
| 0.440589 | 0.000009 | 0.000084 | 0.000177 | 0.023200 | 0.602109 | -0.217553 | -0.603813 | -0.011551 | 4.377620 | 0.000000 | 0.000000 | 0.000000 |
| 0.215859 | -0.000000 | 0.000019 | -0.000001 | 0.014696 | 0.367310 | -0.188949 | 0.216450 | 1.665810 | -2.313900 | 0.000000 | 0.000000 | 0.000000 |
| 0.091015 | 0.000001 | 0.000006 | 0.000034 | 0.001512 | 0.055992 | 0.201050 | 0.715516 | -0.586030 | -0.327368 | 0.000000 | 0.000000 | 0.000000 |
| 0.040174 | -0.000000 | -0.000002 | -0.000010 | 0.000132 | -0.001133 | 0.638180 | 0.271379 | -0.540877 | 0.867468 | 0.000000 | 0.000000 | 0.000000 |
| 0.017215 | 0.000000 | 0.000001 | 0.000003 | -0.000015 | 0.001123 | 0.325623 | 0.004110 | 0.007337 | -0.037484 | 0.000000 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)