MOLPRO Basis Query, element=Pa, basis=cc-pwCVQZ-DK3, l=s
Basis Pa s cc-pwCVQZ-DK3
| Primitives | Contractions... |
|---|
| 57615872.000000 | 0.002016 | 0.000171 | -0.000752 | -0.000117 | 0.000099 | -0.000045 | 0.000021 | 0.000037 | 0.000048 | -0.000061 | 0.000066 | 0.000000 | 0.000000 | 0.000000 |
| 15337661.000000 | 0.001760 | 0.000149 | -0.000656 | -0.000102 | 0.000086 | -0.000039 | 0.000018 | 0.000032 | 0.000042 | -0.000053 | 0.000058 | 0.000000 | 0.000000 | 0.000000 |
| 5247818.800000 | 0.005091 | 0.000430 | -0.001901 | -0.000296 | 0.000251 | -0.000113 | 0.000052 | 0.000094 | 0.000122 | -0.000154 | 0.000167 | 0.000000 | 0.000000 | 0.000000 |
| 1996597.300000 | 0.006300 | 0.000528 | -0.002358 | -0.000367 | 0.000311 | -0.000141 | 0.000065 | 0.000116 | 0.000152 | -0.000192 | 0.000208 | 0.000000 | 0.000000 | 0.000000 |
| 833932.670000 | 0.012414 | 0.001026 | -0.004667 | -0.000727 | 0.000616 | -0.000279 | 0.000128 | 0.000231 | 0.000301 | -0.000379 | 0.000411 | 0.000000 | 0.000000 | 0.000000 |
| 369703.800000 | 0.016934 | 0.001368 | -0.006411 | -0.001001 | 0.000847 | -0.000383 | 0.000176 | 0.000317 | 0.000414 | -0.000522 | 0.000567 | 0.000000 | 0.000000 | 0.000000 |
| 172969.670000 | 0.028822 | 0.002256 | -0.011010 | -0.001724 | 0.001458 | -0.000659 | 0.000303 | 0.000546 | 0.000712 | -0.000895 | 0.000973 | 0.000000 | 0.000000 | 0.000000 |
| 84248.697000 | 0.040473 | 0.002999 | -0.015693 | -0.002468 | 0.002084 | -0.000942 | 0.000433 | 0.000780 | 0.001019 | -0.001289 | 0.001398 | 0.000000 | 0.000000 | 0.000000 |
| 42539.180000 | 0.064090 | 0.004412 | -0.025316 | -0.004004 | 0.003375 | -0.001526 | 0.000701 | 0.001263 | 0.001646 | -0.002062 | 0.002244 | 0.000000 | 0.000000 | 0.000000 |
| 22119.585000 | 0.089662 | 0.005409 | -0.036485 | -0.005821 | 0.004892 | -0.002212 | 0.001016 | 0.001832 | 0.002395 | -0.003053 | 0.003305 | 0.000000 | 0.000000 | 0.000000 |
| 11827.306000 | 0.132298 | 0.006514 | -0.055890 | -0.009017 | 0.007550 | -0.003414 | 0.001568 | 0.002824 | 0.003674 | -0.004547 | 0.004968 | 0.000000 | 0.000000 | 0.000000 |
| 6502.026300 | 0.170544 | 0.005399 | -0.076354 | -0.012531 | 0.010432 | -0.004719 | 0.002167 | 0.003913 | 0.005133 | -0.006692 | 0.007201 | 0.000000 | 0.000000 | 0.000000 |
| 3686.032000 | 0.213099 | 0.002089 | -0.102139 | -0.017112 | 0.014152 | -0.006401 | 0.002939 | 0.005284 | 0.006832 | -0.008072 | 0.008945 | 0.000000 | 0.000000 | 0.000000 |
| 2157.885600 | 0.210852 | -0.003683 | -0.109786 | -0.018843 | 0.015460 | -0.006999 | 0.003215 | 0.005831 | 0.007767 | -0.011091 | 0.011661 | 0.000000 | 0.000000 | 0.000000 |
| 1296.087200 | 0.183489 | -0.002182 | -0.093263 | -0.015822 | 0.013033 | -0.005889 | 0.002702 | 0.004797 | 0.005922 | -0.004643 | 0.005881 | 0.000000 | 0.000000 | 0.000000 |
| 787.315980 | 0.087222 | 0.027325 | 0.004355 | 0.004714 | -0.002850 | 0.001290 | -0.000589 | -0.000921 | -0.000535 | -0.005032 | 0.003678 | 0.000000 | 0.000000 | 0.000000 |
| 478.704800 | 0.004944 | 0.102364 | 0.200046 | 0.055007 | -0.039857 | 0.018162 | -0.008359 | -0.015417 | -0.021617 | 0.039239 | -0.039577 | 0.000000 | 0.000000 | 0.000000 |
| 296.304470 | -0.061161 | 0.170178 | 0.448101 | 0.136520 | -0.097236 | 0.044266 | -0.020333 | -0.036160 | -0.044543 | 0.032948 | -0.043263 | 0.000000 | 0.000000 | 0.000000 |
| 187.576020 | -0.037820 | 0.144530 | 0.517583 | 0.181586 | -0.126274 | 0.057823 | -0.026642 | -0.049484 | -0.070542 | 0.134622 | -0.135906 | 0.000000 | 0.000000 | 0.000000 |
| 120.138020 | -0.040537 | 0.101296 | 0.302336 | 0.107248 | -0.076438 | 0.034987 | -0.016051 | -0.027006 | -0.025985 | -0.040584 | 0.027408 | 0.000000 | 0.000000 | 0.000000 |
| 73.061804 | -0.060109 | 0.159306 | -0.259534 | -0.245758 | 0.163838 | -0.076600 | 0.035301 | 0.060720 | 0.063482 | 0.051042 | -0.021251 | 0.000000 | 0.000000 | 0.000000 |
| 47.655058 | -0.104187 | 0.226316 | -0.604434 | -0.629245 | 0.440585 | -0.210209 | 0.097647 | 0.187380 | 0.283683 | -0.615254 | 0.665184 | 0.000000 | 0.000000 | 0.000000 |
| 30.557364 | -0.069156 | 0.168776 | -0.454297 | -0.529705 | 0.363753 | -0.171837 | 0.079322 | 0.135382 | 0.131984 | 0.192453 | -0.197794 | 0.000000 | 0.000000 | 0.000000 |
| 19.108768 | -0.022087 | 0.044207 | -0.090276 | 0.160713 | -0.122294 | 0.055045 | -0.024881 | -0.037925 | 0.000926 | -0.494737 | 0.478781 | 0.000000 | 0.000000 | 0.000000 |
| 11.921821 | 0.003891 | -0.002825 | 0.092317 | 0.793836 | -0.876187 | 0.490949 | -0.235051 | -0.472176 | -0.761842 | 1.938840 | -2.441060 | 0.000000 | 0.000000 | 0.000000 |
| 7.319775 | 0.000946 | -0.004720 | 0.065618 | 0.509455 | -0.789508 | 0.458652 | -0.219286 | -0.409161 | -0.437351 | -0.898364 | 1.839600 | 1.000000 | 0.000000 | 0.000000 |
| 4.479524 | 0.001345 | -0.000619 | 0.011881 | 0.098068 | 0.246398 | -0.203152 | 0.099917 | 0.247270 | 0.378877 | 1.499120 | -3.255600 | 0.000000 | 1.000000 | 0.000000 |
| 2.692393 | -0.000764 | 0.000075 | 0.000620 | 0.015254 | 0.828161 | -0.746092 | 0.390354 | 0.832071 | 1.351530 | -6.346020 | 14.185200 | 0.000000 | 0.000000 | 0.000000 |
| 1.654827 | 0.000418 | 0.000280 | -0.000697 | 0.003044 | 0.442189 | -0.578913 | 0.319631 | 1.055040 | 1.988210 | 3.255900 | -21.690800 | 0.000000 | 0.000000 | 0.000000 |
| 1.027730 | -0.000337 | -0.000047 | 0.000201 | 0.001798 | 0.098392 | 0.077633 | -0.061782 | -1.160420 | -4.542550 | 7.994190 | 9.464930 | 0.000000 | 0.000000 | 0.000000 |
| 0.602754 | 0.000191 | 0.000058 | -0.000187 | -0.001040 | 0.028884 | 0.573221 | -0.389671 | -1.563440 | -0.753074 | -9.461220 | 9.845300 | 0.000000 | 0.000000 | 0.000000 |
| 0.360436 | -0.000126 | -0.000030 | 0.000113 | 0.000083 | 0.020880 | 0.491840 | -0.413206 | 0.129460 | 2.848740 | -0.696923 | -13.369200 | 0.000000 | 0.000000 | 0.000000 |
| 0.218668 | 0.000068 | 0.000020 | -0.000065 | -0.000354 | 0.006660 | 0.152901 | -0.268138 | 0.666861 | 1.846210 | 4.966120 | 1.418490 | 0.000000 | 0.000000 | 0.000000 |
| 0.128920 | -0.000028 | -0.000007 | 0.000026 | 0.000073 | 0.001340 | 0.039819 | 0.067465 | 1.187640 | -2.144610 | 0.198078 | 6.308900 | 0.000000 | 0.000000 | 0.000000 |
| 0.062694 | 0.000008 | 0.000002 | -0.000008 | -0.000074 | 0.001160 | 0.089489 | 0.512675 | 0.094462 | -1.294720 | -2.789040 | -3.320720 | 0.000000 | 0.000000 | 0.000000 |
| 0.031398 | -0.000003 | -0.000001 | 0.000003 | -0.000035 | 0.001269 | 0.094545 | 0.546749 | -0.740889 | 0.905075 | 0.493028 | -1.081780 | 0.000000 | 0.000000 | 0.000000 |
| 0.015635 | 0.000001 | 0.000000 | -0.000001 | -0.000013 | 0.000270 | 0.020742 | 0.120811 | -0.277367 | 0.485335 | 0.779686 | 1.525060 | 0.000000 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)