MOLPRO Basis Query, element=U, basis=cc-pVQZ-DK3-old, l=s
Basis U s cc-pVQZ-DK3-old
| Primitives | Contractions... |
|---|
| 56697466.500000 | -0.001259 | 0.001776 | -0.000790 | -0.000123 | 0.000109 | -0.000049 | 0.000022 | 0.000048 | 0.000051 | -0.000080 | 0.000000 |
| 15093688.300000 | -0.001093 | 0.001542 | -0.000685 | -0.000107 | 0.000095 | -0.000043 | 0.000019 | 0.000042 | 0.000044 | -0.000069 | 0.000000 |
| 5164101.340000 | -0.003164 | 0.004461 | -0.001986 | -0.000309 | 0.000274 | -0.000124 | 0.000056 | 0.000121 | 0.000128 | -0.000201 | 0.000000 |
| 1964638.800000 | -0.003892 | 0.005480 | -0.002447 | -0.000381 | 0.000338 | -0.000152 | 0.000069 | 0.000149 | 0.000158 | -0.000248 | 0.000000 |
| 820774.813000 | -0.007685 | 0.010793 | -0.004844 | -0.000756 | 0.000670 | -0.000302 | 0.000136 | 0.000295 | 0.000312 | -0.000490 | 0.000000 |
| 364106.973000 | -0.010422 | 0.014574 | -0.006599 | -0.001032 | 0.000913 | -0.000412 | 0.000185 | 0.000402 | 0.000426 | -0.000670 | 0.000000 |
| 170668.076000 | -0.017763 | 0.024702 | -0.011311 | -0.001773 | 0.001568 | -0.000707 | 0.000318 | 0.000690 | 0.000731 | -0.001147 | 0.000000 |
| 83455.390100 | -0.024716 | 0.034055 | -0.015888 | -0.002502 | 0.002210 | -0.000996 | 0.000448 | 0.000972 | 0.001032 | -0.001623 | 0.000000 |
| 42423.376600 | -0.039140 | 0.053315 | -0.025448 | -0.004030 | 0.003552 | -0.001602 | 0.000720 | 0.001562 | 0.001653 | -0.002592 | 0.000000 |
| 22228.773800 | -0.054697 | 0.073131 | -0.036221 | -0.005787 | 0.005084 | -0.002293 | 0.001031 | 0.002239 | 0.002380 | -0.003755 | 0.000000 |
| 11931.713300 | -0.082351 | 0.107521 | -0.055782 | -0.009014 | 0.007888 | -0.003557 | 0.001600 | 0.003467 | 0.003660 | -0.005714 | 0.000000 |
| 6539.042010 | -0.109230 | 0.137288 | -0.076647 | -0.012600 | 0.010958 | -0.004943 | 0.002223 | 0.004834 | 0.005166 | -0.008214 | 0.000000 |
| 3678.232740 | -0.140348 | 0.168406 | -0.102563 | -0.017222 | 0.014873 | -0.006709 | 0.003017 | 0.006523 | 0.006816 | -0.010479 | 0.000000 |
| 2139.549380 | -0.139899 | 0.158805 | -0.107127 | -0.018396 | 0.015756 | -0.007110 | 0.003197 | 0.007002 | 0.007676 | -0.012657 | 0.000000 |
| 1288.453290 | -0.114982 | 0.134622 | -0.085067 | -0.014291 | 0.012353 | -0.005568 | 0.002504 | 0.005295 | 0.005049 | -0.006593 | 0.000000 |
| 792.077184 | -0.026748 | 0.080110 | 0.013539 | 0.006711 | -0.004531 | 0.002051 | -0.000924 | -0.001740 | -0.000725 | -0.001514 | 0.000000 |
| 484.699317 | 0.086554 | 0.071713 | 0.207313 | 0.057137 | -0.042834 | 0.019429 | -0.008745 | -0.019599 | -0.023122 | 0.041994 | 0.000000 |
| 298.001267 | 0.189843 | 0.066335 | 0.464767 | 0.142655 | -0.105093 | 0.047705 | -0.021483 | -0.045726 | -0.044310 | 0.059943 | 0.000000 |
| 186.739586 | 0.148694 | 0.067458 | 0.511739 | 0.180041 | -0.129134 | 0.058855 | -0.026512 | -0.060183 | -0.073269 | 0.137895 | 0.000000 |
| 120.332380 | 0.106037 | 0.031347 | 0.265477 | 0.093111 | -0.069415 | 0.031779 | -0.014346 | -0.027117 | -0.012722 | -0.018461 | 0.000000 |
| 75.850314 | 0.145366 | 0.051015 | -0.262306 | -0.239550 | 0.165302 | -0.077278 | 0.035014 | 0.069947 | 0.048466 | -0.016513 | 0.000000 |
| 49.223121 | 0.232102 | 0.060345 | -0.632443 | -0.643426 | 0.460856 | -0.218721 | 0.099253 | 0.234196 | 0.301372 | -0.610505 | 0.000000 |
| 30.979370 | 0.159628 | 0.049383 | -0.465682 | -0.533877 | 0.380468 | -0.180440 | 0.081968 | 0.165048 | 0.113541 | -0.011709 | 0.000000 |
| 19.338986 | 0.040759 | 0.008938 | -0.070009 | 0.221111 | -0.180147 | 0.085409 | -0.038822 | -0.076547 | -0.014583 | -0.145477 | 0.000000 |
| 11.909179 | -0.001686 | 0.002118 | 0.096551 | 0.808713 | -0.942969 | 0.533791 | -0.249936 | -0.617660 | -0.845615 | 1.910090 | 0.000000 |
| 7.281087 | -0.002275 | -0.001769 | 0.063923 | 0.460027 | -0.745365 | 0.435069 | -0.204527 | -0.446611 | -0.285674 | -0.419818 | 0.000000 |
| 4.523816 | -0.000568 | 0.000918 | 0.008350 | 0.082279 | 0.346623 | -0.279036 | 0.136093 | 0.371691 | 0.314287 | 0.474886 | 0.000000 |
| 2.691479 | 0.000400 | -0.000596 | 0.001885 | 0.022967 | 0.843429 | -0.797416 | 0.409243 | 1.228680 | 2.121870 | -8.364660 | 0.000000 |
| 1.643698 | 0.000043 | 0.000551 | -0.001491 | 0.004042 | 0.389935 | -0.518189 | 0.282652 | 1.079470 | 0.408052 | 10.445900 | 0.000000 |
| 1.024666 | 0.000094 | -0.000338 | 0.000827 | 0.002985 | 0.080572 | 0.144799 | -0.104785 | -2.137430 | -4.388260 | 1.791390 | 0.000000 |
| 0.608707 | -0.000032 | 0.000209 | -0.000530 | -0.001276 | 0.027544 | 0.586041 | -0.382493 | -1.329340 | 0.784696 | -10.069200 | 0.000000 |
| 0.362155 | 0.000025 | -0.000122 | 0.000316 | 0.000481 | 0.020892 | 0.477662 | -0.420282 | 0.823922 | 2.611890 | 3.748740 | 0.000000 |
| 0.212813 | -0.000010 | 0.000065 | -0.000166 | -0.000399 | 0.005578 | 0.133924 | -0.227285 | 0.876717 | 0.367696 | 2.652810 | 0.000000 |
| 0.120510 | 0.000005 | -0.000030 | 0.000076 | 0.000148 | 0.001047 | 0.030580 | 0.085755 | 0.468790 | -1.250740 | -0.531950 | 0.000000 |
| 0.064398 | -0.000002 | 0.000012 | -0.000030 | -0.000093 | 0.001017 | 0.082225 | 0.481323 | 0.100707 | -1.245980 | -1.749550 | 0.000000 |
| 0.032841 | 0.000001 | -0.000004 | 0.000010 | -0.000013 | 0.001277 | 0.092502 | 0.546297 | -0.486863 | 0.520810 | 0.153435 | 0.000000 |
| 0.016422 | -0.000000 | 0.000001 | -0.000002 | -0.000013 | 0.000297 | 0.022745 | 0.135083 | -0.330319 | 0.811586 | 0.729124 | 1.000000 |
Comment: K.A. Peterson, J. Chem. Phys. 142, 074105 (2015)
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