MOLPRO Basis Query, element=No, basis=cc-pVQZ-DK3, l=p
Basis No p cc-pVQZ-DK3
| Primitives | Contractions... |
|---|
| 77904907.000000 | 0.000027 | -0.000035 | 0.000001 | -0.000005 | 0.000002 | -0.000000 | -0.000002 | 0.000003 | 0.000004 | 0.000005 | 0.000000 |
| 30120442.000000 | 0.000010 | -0.000013 | 0.000001 | -0.000002 | 0.000001 | -0.000000 | -0.000001 | 0.000001 | 0.000002 | 0.000002 | 0.000000 |
| 11701012.000000 | 0.000066 | -0.000084 | 0.000003 | -0.000013 | 0.000005 | -0.000001 | -0.000005 | 0.000007 | 0.000010 | 0.000011 | 0.000000 |
| 4728112.700000 | 0.000079 | -0.000101 | 0.000004 | -0.000015 | 0.000007 | -0.000001 | -0.000005 | 0.000008 | 0.000012 | 0.000013 | 0.000000 |
| 1972803.300000 | 0.000189 | -0.000242 | 0.000009 | -0.000036 | 0.000016 | -0.000003 | -0.000013 | 0.000020 | 0.000028 | 0.000031 | 0.000000 |
| 845466.520000 | 0.000310 | -0.000398 | 0.000016 | -0.000060 | 0.000026 | -0.000005 | -0.000022 | 0.000033 | 0.000046 | 0.000052 | 0.000000 |
| 371193.230000 | 0.000624 | -0.000802 | 0.000032 | -0.000121 | 0.000052 | -0.000011 | -0.000044 | 0.000066 | 0.000092 | 0.000104 | 0.000000 |
| 166985.350000 | 0.001142 | -0.001472 | 0.000059 | -0.000222 | 0.000097 | -0.000019 | -0.000081 | 0.000121 | 0.000172 | 0.000195 | 0.000000 |
| 76932.113000 | 0.002251 | -0.002911 | 0.000119 | -0.000440 | 0.000192 | -0.000038 | -0.000160 | 0.000240 | 0.000336 | 0.000378 | 0.000000 |
| 36267.141000 | 0.004399 | -0.005721 | 0.000241 | -0.000870 | 0.000379 | -0.000076 | -0.000315 | 0.000473 | 0.000675 | 0.000768 | 0.000000 |
| 17488.699000 | 0.008915 | -0.011677 | 0.000509 | -0.001783 | 0.000776 | -0.000155 | -0.000648 | 0.000972 | 0.001357 | 0.001520 | 0.000000 |
| 8637.131700 | 0.018108 | -0.023969 | 0.001102 | -0.003694 | 0.001607 | -0.000322 | -0.001338 | 0.002011 | 0.002883 | 0.003292 | 0.000000 |
| 4376.966600 | 0.036662 | -0.049248 | 0.002415 | -0.007666 | 0.003334 | -0.000668 | -0.002785 | 0.004178 | 0.005804 | 0.006477 | 0.000000 |
| 2278.555500 | 0.070900 | -0.097375 | 0.005262 | -0.015432 | 0.006714 | -0.001345 | -0.005588 | 0.008399 | 0.012141 | 0.013946 | 0.000000 |
| 1217.584300 | 0.124618 | -0.176099 | 0.010551 | -0.028442 | 0.012367 | -0.002478 | -0.010346 | 0.015519 | 0.021326 | 0.023617 | 0.000000 |
| 666.871310 | 0.183307 | -0.267375 | 0.017983 | -0.044319 | 0.019284 | -0.003865 | -0.016018 | 0.024107 | 0.035662 | 0.041645 | 0.000000 |
| 374.059900 | 0.205488 | -0.285049 | 0.015154 | -0.044827 | 0.019468 | -0.003899 | -0.016405 | 0.024536 | 0.031140 | 0.032211 | 0.000000 |
| 213.907420 | 0.176466 | -0.101870 | -0.032320 | 0.005161 | -0.002243 | 0.000456 | 0.002354 | -0.003526 | 0.002223 | 0.007992 | 0.000000 |
| 124.346580 | 0.164513 | 0.268124 | -0.159244 | 0.127540 | -0.056011 | 0.011272 | 0.046507 | -0.071224 | -0.119508 | -0.151150 | 0.000000 |
| 73.747387 | 0.180331 | 0.517398 | -0.281359 | 0.233501 | -0.102412 | 0.020599 | 0.088255 | -0.134711 | -0.170260 | -0.190262 | 0.000000 |
| 43.722316 | 0.120657 | 0.337154 | -0.103631 | 0.087178 | -0.036940 | 0.007386 | 0.026628 | -0.037213 | -0.093227 | -0.107564 | 0.000000 |
| 25.753539 | 0.031002 | -0.021992 | 0.358543 | -0.302423 | 0.143788 | -0.029380 | -0.121704 | 0.200124 | 0.438022 | 0.637572 | 0.000000 |
| 15.453119 | -0.000293 | -0.162668 | 0.566138 | -0.576311 | 0.283170 | -0.058050 | -0.256956 | 0.389939 | 0.365380 | 0.261751 | 0.000000 |
| 9.210288 | -0.001073 | -0.080071 | 0.273829 | -0.115988 | 0.028123 | -0.004998 | 0.005822 | -0.019460 | 0.287150 | 0.612334 | 0.000000 |
| 5.371286 | -0.000108 | -0.009099 | 0.039383 | 0.550991 | -0.370416 | 0.079683 | 0.331966 | -0.649577 | -2.216170 | -4.938490 | 0.000000 |
| 3.079229 | 0.000182 | 0.003149 | -0.000869 | 0.546374 | -0.394191 | 0.086327 | 0.491336 | -0.800558 | 0.525859 | 6.662830 | 0.000000 |
| 1.711260 | 0.000044 | 0.001002 | -0.000629 | 0.174683 | 0.024264 | -0.010421 | -0.347756 | 1.378930 | 3.169570 | -2.374740 | 0.000000 |
| 0.923815 | 0.000013 | 0.000191 | -0.000129 | 0.027549 | 0.432115 | -0.112142 | -0.725390 | 0.783966 | -2.856940 | -3.277040 | 0.000000 |
| 0.491198 | -0.000001 | 0.000020 | 0.000027 | 0.014562 | 0.478390 | -0.152146 | -0.081572 | -1.140340 | -0.598788 | 4.945360 | 0.000000 |
| 0.256609 | 0.000002 | 0.000027 | 0.000001 | 0.005903 | 0.228948 | -0.105772 | 0.380311 | -0.703705 | 1.822980 | -2.315410 | 0.000000 |
| 0.123021 | -0.000001 | -0.000004 | 0.000007 | 0.001095 | 0.037700 | 0.123007 | 0.533080 | 0.639963 | -0.167691 | -0.656905 | 0.000000 |
| 0.059847 | 0.000000 | 0.000003 | -0.000002 | -0.000039 | 0.001650 | 0.438896 | 0.209243 | 0.448581 | -0.646082 | 0.932079 | 0.000000 |
| 0.029003 | -0.000000 | -0.000001 | 0.000001 | 0.000054 | 0.000919 | 0.462928 | 0.022102 | 0.029630 | -0.021780 | 0.052548 | 0.000000 |
| 0.013851 | 0.000000 | 0.000000 | -0.000000 | -0.000013 | -0.000149 | 0.129674 | -0.000154 | 0.003768 | -0.011007 | 0.014081 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)