MOLPRO Basis Query, element=No, basis=cc-pwCVQZ-X2C, l=p
Basis No p cc-pwCVQZ-X2C
| Primitives | Contractions... |
|---|
| 77904907.000000 | 0.000018 | -0.000024 | 0.000001 | -0.000004 | 0.000002 | -0.000000 | -0.000001 | 0.000002 | 0.000003 | 0.000003 | 0.000000 | 0.000000 | 0.000000 |
| 30120442.000000 | 0.000007 | -0.000009 | 0.000000 | -0.000001 | 0.000001 | -0.000000 | -0.000000 | 0.000001 | 0.000001 | 0.000001 | 0.000000 | 0.000000 | 0.000000 |
| 11701012.000000 | 0.000048 | -0.000062 | 0.000002 | -0.000009 | 0.000004 | -0.000001 | -0.000003 | 0.000005 | 0.000007 | 0.000008 | 0.000000 | 0.000000 | 0.000000 |
| 4728112.700000 | 0.000060 | -0.000077 | 0.000003 | -0.000012 | 0.000005 | -0.000001 | -0.000004 | 0.000006 | 0.000009 | 0.000010 | 0.000000 | 0.000000 | 0.000000 |
| 1972803.300000 | 0.000151 | -0.000195 | 0.000008 | -0.000029 | 0.000013 | -0.000003 | -0.000011 | 0.000016 | 0.000023 | 0.000025 | 0.000000 | 0.000000 | 0.000000 |
| 845466.520000 | 0.000260 | -0.000335 | 0.000014 | -0.000051 | 0.000022 | -0.000004 | -0.000018 | 0.000028 | 0.000039 | 0.000044 | 0.000000 | 0.000000 | 0.000000 |
| 371193.230000 | 0.000545 | -0.000702 | 0.000029 | -0.000106 | 0.000046 | -0.000009 | -0.000039 | 0.000058 | 0.000081 | 0.000091 | 0.000000 | 0.000000 | 0.000000 |
| 166985.350000 | 0.001033 | -0.001335 | 0.000056 | -0.000202 | 0.000088 | -0.000018 | -0.000073 | 0.000110 | 0.000157 | 0.000178 | 0.000000 | 0.000000 | 0.000000 |
| 76932.113000 | 0.002096 | -0.002717 | 0.000115 | -0.000413 | 0.000179 | -0.000036 | -0.000150 | 0.000225 | 0.000315 | 0.000353 | 0.000000 | 0.000000 | 0.000000 |
| 36267.141000 | 0.004193 | -0.005461 | 0.000236 | -0.000833 | 0.000362 | -0.000073 | -0.000302 | 0.000453 | 0.000647 | 0.000736 | 0.000000 | 0.000000 | 0.000000 |
| 17488.699000 | 0.008664 | -0.011354 | 0.000506 | -0.001739 | 0.000756 | -0.000152 | -0.000631 | 0.000947 | 0.001322 | 0.001480 | 0.000000 | 0.000000 | 0.000000 |
| 8637.131700 | 0.017861 | -0.023639 | 0.001107 | -0.003651 | 0.001589 | -0.000318 | -0.001322 | 0.001986 | 0.002849 | 0.003253 | 0.000000 | 0.000000 | 0.000000 |
| 4376.966600 | 0.036525 | -0.049026 | 0.002439 | -0.007644 | 0.003325 | -0.000666 | -0.002775 | 0.004165 | 0.005783 | 0.006451 | 0.000000 | 0.000000 | 0.000000 |
| 2278.555500 | 0.070975 | -0.097350 | 0.005320 | -0.015446 | 0.006720 | -0.001347 | -0.005588 | 0.008404 | 0.012146 | 0.013953 | 0.000000 | 0.000000 | 0.000000 |
| 1217.584300 | 0.124898 | -0.176195 | 0.010652 | -0.028485 | 0.012385 | -0.002481 | -0.010352 | 0.015538 | 0.021347 | 0.023631 | 0.000000 | 0.000000 | 0.000000 |
| 666.871310 | 0.183673 | -0.267398 | 0.018119 | -0.044358 | 0.019300 | -0.003868 | -0.016018 | 0.024120 | 0.035673 | 0.041660 | 0.000000 | 0.000000 | 0.000000 |
| 374.059900 | 0.205799 | -0.284901 | 0.015275 | -0.044834 | 0.019471 | -0.003900 | -0.016394 | 0.024534 | 0.031129 | 0.032175 | 0.000000 | 0.000000 | 0.000000 |
| 213.907420 | 0.176556 | -0.101617 | -0.032316 | 0.005194 | -0.002258 | 0.000459 | 0.002365 | -0.003546 | 0.002194 | 0.007991 | 0.000000 | 0.000000 | 0.000000 |
| 124.346580 | 0.164261 | 0.268334 | -0.159433 | 0.127596 | -0.056035 | 0.011278 | 0.046486 | -0.071229 | -0.119482 | -0.151157 | 0.000000 | 0.000000 | 0.000000 |
| 73.747387 | 0.179832 | 0.517432 | -0.281609 | 0.233509 | -0.102414 | 0.020601 | 0.088182 | -0.134684 | -0.170165 | -0.189947 | 0.000000 | 0.000000 | 0.000000 |
| 43.722316 | 0.120309 | 0.337103 | -0.103691 | 0.087093 | -0.036901 | 0.007379 | 0.026568 | -0.037137 | -0.093105 | -0.107703 | 0.000000 | 0.000000 | 0.000000 |
| 25.753539 | 0.031025 | -0.021868 | 0.358663 | -0.302545 | 0.143851 | -0.029395 | -0.121640 | 0.200071 | 0.437716 | 0.637348 | 0.000000 | 0.000000 | 0.000000 |
| 15.453119 | -0.000110 | -0.162379 | 0.566167 | -0.576299 | 0.283170 | -0.058054 | -0.256747 | 0.389918 | 0.365426 | 0.261263 | 0.000000 | 0.000000 | 0.000000 |
| 9.210288 | -0.000982 | -0.079907 | 0.273768 | -0.115820 | 0.028022 | -0.004977 | 0.005911 | -0.019626 | 0.286855 | 0.613224 | 0.000000 | 0.000000 | 0.000000 |
| 5.371286 | -0.000097 | -0.009076 | 0.039377 | 0.551089 | -0.370501 | 0.079708 | 0.331725 | -0.649316 | -2.214990 | -4.936920 | 0.000000 | 0.000000 | 0.000000 |
| 3.079229 | 0.000179 | 0.003142 | -0.000854 | 0.546301 | -0.394168 | 0.086330 | 0.490909 | -0.800485 | 0.524663 | 6.656790 | 0.000000 | 0.000000 | 0.000000 |
| 1.711260 | 0.000043 | 0.001000 | -0.000623 | 0.174602 | 0.024396 | -0.010457 | -0.347546 | 1.378350 | 3.169070 | -2.366570 | 0.000000 | 0.000000 | 0.000000 |
| 0.923815 | 0.000013 | 0.000190 | -0.000128 | 0.027542 | 0.432214 | -0.112176 | -0.724799 | 0.784235 | -2.854390 | -3.282020 | 0.000000 | 0.000000 | 0.000000 |
| 0.491198 | -0.000001 | 0.000020 | 0.000027 | 0.014563 | 0.478396 | -0.152180 | -0.081543 | -1.139280 | -0.600931 | 4.943990 | 0.000000 | 0.000000 | 0.000000 |
| 0.256609 | 0.000002 | 0.000027 | 0.000001 | 0.005901 | 0.228830 | -0.105770 | 0.379589 | -0.704436 | 1.822360 | -2.310200 | 0.000000 | 0.000000 | 0.000000 |
| 0.123021 | -0.000001 | -0.000004 | 0.000007 | 0.001093 | 0.037638 | 0.123174 | 0.533178 | 0.639008 | -0.165658 | -0.661036 | 0.000000 | 0.000000 | 0.000000 |
| 0.059847 | 0.000000 | 0.000003 | -0.000002 | -0.000039 | 0.001650 | 0.439141 | 0.209768 | 0.449117 | -0.646789 | 0.933085 | 0.000000 | 0.000000 | 0.000000 |
| 0.029003 | -0.000000 | -0.000001 | 0.000001 | 0.000054 | 0.000918 | 0.462787 | 0.022164 | 0.029714 | -0.021911 | 0.052805 | 0.000000 | 0.000000 | 0.000000 |
| 0.013851 | 0.000000 | 0.000000 | -0.000000 | -0.000013 | -0.000149 | 0.129428 | -0.000147 | 0.003781 | -0.011027 | 0.014112 | 1.000000 | 0.000000 | 0.000000 |
| 12.803435 | 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 |
| 7.768462 | 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)