MOLPRO Basis Query, element=Pa, basis=cc-pwCVTZ-DK3-ol, l=s
Basis Pa s cc-pwCVTZ-DK3-ol
| Primitives | Contractions... |
|---|
| 57606659.000000 | -0.000367 | 0.001999 | -0.000726 | -0.000116 | 0.000099 | -0.000045 | 0.000021 | 0.000037 | -0.000048 | 0.000000 | 0.000000 | 0.000000 |
| 15333099.000000 | -0.000320 | 0.001748 | -0.000634 | -0.000102 | 0.000087 | -0.000039 | 0.000018 | 0.000032 | -0.000042 | 0.000000 | 0.000000 | 0.000000 |
| 5244434.800000 | -0.000928 | 0.005048 | -0.001835 | -0.000295 | 0.000251 | -0.000113 | 0.000052 | 0.000094 | -0.000122 | 0.000000 | 0.000000 | 0.000000 |
| 1993947.300000 | -0.001157 | 0.006271 | -0.002285 | -0.000367 | 0.000312 | -0.000141 | 0.000065 | 0.000117 | -0.000153 | 0.000000 | 0.000000 | 0.000000 |
| 831464.670000 | -0.002291 | 0.012335 | -0.004515 | -0.000726 | 0.000618 | -0.000279 | 0.000128 | 0.000231 | -0.000302 | 0.000000 | 0.000000 | 0.000000 |
| 367473.800000 | -0.003191 | 0.016990 | -0.006266 | -0.001010 | 0.000858 | -0.000388 | 0.000178 | 0.000321 | -0.000420 | 0.000000 | 0.000000 | 0.000000 |
| 170948.980000 | -0.005514 | 0.028930 | -0.010774 | -0.001741 | 0.001479 | -0.000668 | 0.000307 | 0.000553 | -0.000722 | 0.000000 | 0.000000 | 0.000000 |
| 82498.208000 | -0.008096 | 0.041465 | -0.015694 | -0.002547 | 0.002160 | -0.000976 | 0.000448 | 0.000809 | -0.001057 | 0.000000 | 0.000000 | 0.000000 |
| 41068.557000 | -0.013295 | 0.066058 | -0.025530 | -0.004169 | 0.003528 | -0.001595 | 0.000733 | 0.001318 | -0.001720 | 0.000000 | 0.000000 | 0.000000 |
| 20931.097000 | -0.020180 | 0.095592 | -0.038190 | -0.006291 | 0.005308 | -0.002400 | 0.001102 | 0.001992 | -0.002605 | 0.000000 | 0.000000 | 0.000000 |
| 10881.858000 | -0.032132 | 0.142991 | -0.059747 | -0.009970 | 0.008375 | -0.003787 | 0.001739 | 0.003121 | -0.004070 | 0.000000 | 0.000000 | 0.000000 |
| 5751.850200 | -0.047664 | 0.193172 | -0.086493 | -0.014700 | 0.012273 | -0.005550 | 0.002550 | 0.004624 | -0.006058 | 0.000000 | 0.000000 | 0.000000 |
| 3085.413800 | -0.066495 | 0.240368 | -0.117665 | -0.020515 | 0.016984 | -0.007683 | 0.003528 | 0.006293 | -0.008187 | 0.000000 | 0.000000 | 0.000000 |
| 1676.302600 | -0.070537 | 0.231081 | -0.122390 | -0.021751 | 0.017896 | -0.008097 | 0.003721 | 0.006847 | -0.009026 | 0.000000 | 0.000000 | 0.000000 |
| 920.364860 | -0.023626 | 0.149744 | -0.044426 | -0.005530 | 0.005175 | -0.002332 | 0.001066 | 0.001619 | -0.001931 | 0.000000 | 0.000000 | 0.000000 |
| 507.302700 | 0.114270 | 0.033479 | 0.202649 | 0.056505 | -0.041129 | 0.018705 | -0.008589 | -0.014887 | 0.019169 | 0.000000 | 0.000000 | 0.000000 |
| 285.301180 | 0.244587 | -0.013881 | 0.548461 | 0.172416 | -0.122712 | 0.055943 | -0.025751 | -0.047935 | 0.063734 | 0.000000 | 0.000000 | 0.000000 |
| 162.083520 | 0.197985 | -0.013442 | 0.605050 | 0.222521 | -0.154869 | 0.070889 | -0.032578 | -0.056192 | 0.072208 | 0.000000 | 0.000000 | 0.000000 |
| 92.502257 | 0.134582 | -0.014203 | 0.036384 | -0.036593 | 0.019421 | -0.009128 | 0.004115 | 0.001534 | 0.001075 | 0.000000 | 0.000000 | 0.000000 |
| 54.996696 | 0.249625 | -0.043456 | -0.678191 | -0.645561 | 0.447427 | -0.212041 | 0.098447 | 0.193368 | -0.267182 | 0.000000 | 0.000000 | 0.000000 |
| 32.498055 | 0.201939 | -0.033776 | -0.590782 | -0.685300 | 0.476926 | -0.227202 | 0.104959 | 0.171310 | -0.214887 | 0.000000 | 0.000000 | 0.000000 |
| 19.139224 | 0.048672 | -0.008893 | -0.102345 | 0.188180 | -0.152559 | 0.072939 | -0.033085 | -0.027730 | 0.028614 | 0.000000 | 0.000000 | 0.000000 |
| 11.382710 | 0.000154 | 0.001566 | 0.103892 | 0.862319 | -0.976271 | 0.548029 | -0.263284 | -0.581738 | 0.872326 | 0.000000 | 0.000000 | 0.000000 |
| 6.786052 | -0.001620 | 0.000219 | 0.057771 | 0.444812 | -0.715550 | 0.417427 | -0.198011 | -0.257648 | 0.233331 | 1.000000 | 0.000000 | 0.000000 |
| 4.149622 | -0.000024 | 0.000424 | 0.007658 | 0.066411 | 0.448995 | -0.350743 | 0.170764 | 0.219628 | -0.311481 | 0.000000 | 1.000000 | 0.000000 |
| 2.398648 | 0.000213 | -0.000251 | 0.000234 | 0.013877 | 0.872126 | -0.849864 | 0.456346 | 1.306700 | -2.312130 | 0.000000 | 0.000000 | 0.000000 |
| 1.389239 | 0.000151 | 0.000095 | -0.000474 | 0.002053 | 0.319027 | -0.431399 | 0.230037 | 0.271748 | 0.316072 | 0.000000 | 0.000000 | 0.000000 |
| 0.799685 | -0.000007 | -0.000062 | 0.000088 | 0.000459 | 0.047512 | 0.436706 | -0.277849 | -1.773160 | 4.827330 | 0.000000 | 0.000000 | 0.000000 |
| 0.427327 | 0.000014 | 0.000024 | -0.000055 | -0.000721 | 0.030699 | 0.715284 | -0.562089 | -0.897175 | -3.628160 | 0.000000 | 0.000000 | 0.000000 |
| 0.220940 | -0.000002 | -0.000010 | 0.000018 | -0.000091 | 0.010077 | 0.233304 | -0.326108 | 1.532070 | -1.217550 | 0.000000 | 0.000000 | 0.000000 |
| 0.086038 | 0.000001 | 0.000003 | -0.000007 | -0.000059 | 0.001150 | 0.063372 | 0.302160 | 1.024940 | 2.677980 | 0.000000 | 0.000000 | 0.000000 |
| 0.041219 | -0.000000 | -0.000002 | 0.000003 | -0.000045 | 0.001535 | 0.118889 | 0.692611 | -0.772653 | -0.537526 | 0.000000 | 0.000000 | 0.000000 |
| 0.018781 | 0.000000 | 0.000000 | -0.000001 | -0.000024 | 0.000588 | 0.043818 | 0.253564 | -0.484245 | -0.804705 | 0.000000 | 0.000000 | 1.000000 |
Comment: M. Vasiliu, K.A. Peterson, J.K. Gibson, D.A. Dixon, J. Phys. Chem. A 119, 11422 (2015)