MOLPRO Basis Query, element=No, basis=cc-pVQZ-X2C, l=s
Basis No s cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 54916930.000000 | 0.005560 | -0.001243 | -0.002299 | -0.000307 | 0.000336 | -0.000152 | 0.000055 | 0.000123 | -0.000171 | -0.000214 | 0.000231 | 0.000000 |
| 14614321.000000 | 0.003341 | -0.000751 | -0.001387 | -0.000185 | 0.000203 | -0.000092 | 0.000033 | 0.000074 | -0.000103 | -0.000129 | 0.000139 | 0.000000 |
| 4989120.900000 | 0.011098 | -0.002494 | -0.004607 | -0.000616 | 0.000673 | -0.000304 | 0.000110 | 0.000246 | -0.000342 | -0.000429 | 0.000464 | 0.000000 |
| 1889859.500000 | 0.010314 | -0.002343 | -0.004318 | -0.000579 | 0.000632 | -0.000286 | 0.000104 | 0.000231 | -0.000321 | -0.000403 | 0.000435 | 0.000000 |
| 785760.200000 | 0.022668 | -0.005166 | -0.009514 | -0.001277 | 0.001393 | -0.000630 | 0.000228 | 0.000509 | -0.000708 | -0.000889 | 0.000961 | 0.000000 |
| 346707.540000 | 0.024941 | -0.005802 | -0.010637 | -0.001436 | 0.001563 | -0.000707 | 0.000256 | 0.000571 | -0.000795 | -0.000997 | 0.001074 | 0.000000 |
| 161775.620000 | 0.046359 | -0.010883 | -0.019913 | -0.002695 | 0.002931 | -0.001326 | 0.000481 | 0.001071 | -0.001490 | -0.001870 | 0.002028 | 0.000000 |
| 78844.285000 | 0.053783 | -0.013083 | -0.023758 | -0.003247 | 0.003518 | -0.001591 | 0.000577 | 0.001286 | -0.001791 | -0.002245 | 0.002401 | 0.000000 |
| 40177.040000 | 0.092389 | -0.022828 | -0.041328 | -0.005674 | 0.006138 | -0.002776 | 0.001006 | 0.002243 | -0.003117 | -0.003915 | 0.004306 | 0.000000 |
| 21416.283000 | 0.096192 | -0.025319 | -0.045274 | -0.006324 | 0.006794 | -0.003072 | 0.001114 | 0.002484 | -0.003470 | -0.004341 | 0.004428 | 0.000000 |
| 12123.403000 | 0.161283 | -0.042648 | -0.076253 | -0.010678 | 0.011473 | -0.005190 | 0.001882 | 0.004187 | -0.005780 | -0.007305 | 0.008878 | 0.000000 |
| 7532.586400 | 0.070498 | -0.022618 | -0.039129 | -0.005755 | 0.006039 | -0.002726 | 0.000988 | 0.002225 | -0.003262 | -0.003918 | 0.000895 | 0.000000 |
| 5250.315200 | 0.194919 | -0.053893 | -0.095733 | -0.013600 | 0.014577 | -0.006601 | 0.002394 | 0.005293 | -0.007050 | -0.009190 | 0.016342 | 0.000000 |
| 3495.599500 | 0.113528 | -0.038209 | -0.065731 | -0.009805 | 0.010214 | -0.004607 | 0.001669 | 0.003777 | -0.005674 | -0.006680 | -0.001126 | 0.000000 |
| 2168.994500 | 0.212855 | -0.061733 | -0.108008 | -0.015323 | 0.016465 | -0.007459 | 0.002706 | 0.005959 | -0.007770 | -0.010308 | 0.021671 | 0.000000 |
| 1320.143600 | 0.092189 | -0.007050 | -0.010993 | 0.001653 | -0.000560 | 0.000278 | -0.000105 | -0.000137 | -0.000555 | 0.000143 | -0.015404 | 0.000000 |
| 802.531090 | 0.079556 | 0.059419 | 0.117223 | 0.032553 | -0.027980 | 0.012645 | -0.004584 | -0.010427 | 0.015789 | 0.018734 | 0.003554 | 0.000000 |
| 490.430110 | -0.015080 | 0.173158 | 0.386453 | 0.104877 | -0.091764 | 0.041701 | -0.015147 | -0.033607 | 0.044974 | 0.059093 | -0.104332 | 0.000000 |
| 300.423780 | 0.019956 | 0.183523 | 0.539350 | 0.172567 | -0.144406 | 0.065580 | -0.023803 | -0.053847 | 0.078805 | 0.096671 | -0.040070 | 0.000000 |
| 183.618140 | -0.017074 | 0.135063 | 0.402540 | 0.133216 | -0.113737 | 0.052210 | -0.019010 | -0.041764 | 0.052650 | 0.072961 | -0.192389 | 0.000000 |
| 111.246840 | -0.003710 | 0.147333 | -0.194023 | -0.183869 | 0.142704 | -0.067269 | 0.024624 | 0.053847 | -0.064655 | -0.092076 | 0.307470 | 0.000000 |
| 70.200889 | -0.054644 | 0.251310 | -0.643155 | -0.641304 | 0.517467 | -0.246417 | 0.090129 | 0.210903 | -0.325962 | -0.439413 | 0.195613 | 0.000000 |
| 43.560489 | -0.020769 | 0.183709 | -0.523003 | -0.551302 | 0.451011 | -0.217232 | 0.079771 | 0.177029 | -0.219187 | -0.292228 | 0.835825 | 0.000000 |
| 25.764604 | -0.017562 | 0.051383 | -0.075623 | 0.197595 | -0.197296 | 0.097223 | -0.035933 | -0.092461 | 0.117033 | 0.376228 | -1.860800 | 0.000000 |
| 17.262779 | 0.012660 | -0.009011 | 0.106482 | 0.703420 | -0.939821 | 0.557138 | -0.210583 | -0.504851 | 0.810197 | 0.849761 | 1.414820 | 0.000000 |
| 11.213340 | -0.005130 | 0.002063 | 0.079177 | 0.495344 | -0.866955 | 0.523122 | -0.198397 | -0.472956 | 0.600842 | 1.096060 | -4.652860 | 0.000000 |
| 7.049428 | 0.004348 | -0.002967 | 0.017709 | 0.134122 | 0.279005 | -0.278140 | 0.111470 | 0.305232 | -0.404688 | -1.069150 | 6.623110 | 0.000000 |
| 4.176234 | -0.002107 | 0.001431 | 0.002156 | 0.042181 | 0.937366 | -0.931274 | 0.380161 | 1.217110 | -2.591570 | -5.771330 | 2.712550 | 0.000000 |
| 2.435756 | 0.001355 | -0.000645 | -0.000686 | 0.015274 | 0.423865 | -0.517013 | 0.223613 | 0.485048 | 0.418858 | 7.893890 | -15.498100 | 0.000000 |
| 1.468022 | -0.000898 | 0.000513 | 0.000554 | 0.002431 | 0.057746 | 0.273541 | -0.140432 | -1.483440 | 3.448100 | 0.868369 | 14.132800 | 0.000000 |
| 0.862473 | 0.000545 | -0.000296 | -0.000331 | 0.000220 | 0.026836 | 0.594762 | -0.309701 | -0.764468 | -0.231740 | -6.367830 | 0.356256 | 0.000000 |
| 0.515615 | -0.000297 | 0.000164 | 0.000209 | 0.000341 | 0.012392 | 0.451683 | -0.338544 | 0.059592 | -2.479470 | 0.643179 | -8.176880 | 0.000000 |
| 0.293540 | 0.000124 | -0.000067 | -0.000079 | 0.000011 | 0.005252 | 0.130100 | -0.187238 | 0.862412 | -0.550854 | 3.568150 | 3.133710 | 0.000000 |
| 0.139338 | -0.000049 | 0.000026 | 0.000033 | 0.000027 | 0.000129 | 0.026490 | 0.160483 | 0.859084 | 1.583930 | -0.552988 | 3.626130 | 0.000000 |
| 0.072810 | 0.000025 | -0.000013 | -0.000016 | -0.000012 | 0.000831 | 0.058878 | 0.521446 | -0.031162 | 0.659152 | -1.870700 | -3.792860 | 0.000000 |
| 0.036275 | -0.000009 | 0.000005 | 0.000007 | 0.000005 | 0.000533 | 0.052445 | 0.464866 | -0.645260 | -0.706417 | 0.537914 | 0.097462 | 0.000000 |
| 0.017995 | 0.000002 | -0.000001 | -0.000001 | -0.000001 | 0.000122 | 0.009499 | 0.085156 | -0.282981 | -0.446567 | 0.605858 | 1.040340 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)