MOLPRO Basis Query, element=Lr, basis=cc-pVDZ-X2C, l=s
Basis Lr s cc-pVDZ-X2C
Primitives | Contractions... |
54369989.000000 | 0.002230 | 0.005700 | 0.002362 | -0.000290 | 0.000403 | -0.000165 | 0.000076 | -0.000156 | 0.000000 |
14402007.000000 | 0.001382 | 0.003543 | 0.001473 | -0.000181 | 0.000252 | -0.000103 | 0.000047 | -0.000097 | 0.000000 |
4859916.600000 | 0.004421 | 0.011338 | 0.004714 | -0.000579 | 0.000806 | -0.000329 | 0.000152 | -0.000311 | 0.000000 |
1800806.300000 | 0.004510 | 0.011649 | 0.004877 | -0.000601 | 0.000835 | -0.000341 | 0.000157 | -0.000322 | 0.000000 |
719461.110000 | 0.009351 | 0.024244 | 0.010184 | -0.001258 | 0.001746 | -0.000713 | 0.000328 | -0.000675 | 0.000000 |
299493.540000 | 0.012079 | 0.031745 | 0.013510 | -0.001677 | 0.002324 | -0.000949 | 0.000437 | -0.000896 | 0.000000 |
129051.210000 | 0.021044 | 0.055990 | 0.024093 | -0.003008 | 0.004156 | -0.001696 | 0.000782 | -0.001609 | 0.000000 |
57019.624000 | 0.029958 | 0.081800 | 0.036037 | -0.004542 | 0.006254 | -0.002553 | 0.001177 | -0.002405 | 0.000000 |
25782.110000 | 0.047171 | 0.132769 | 0.059982 | -0.007660 | 0.010478 | -0.004274 | 0.001969 | -0.004072 | 0.000000 |
11897.659000 | 0.064465 | 0.191286 | 0.090257 | -0.011714 | 0.015940 | -0.006507 | 0.002999 | -0.006083 | 0.000000 |
5598.286300 | 0.082151 | 0.260636 | 0.128930 | -0.017183 | 0.023062 | -0.009395 | 0.004327 | -0.009076 | 0.000000 |
2684.095600 | 0.080594 | 0.266222 | 0.135406 | -0.017947 | 0.024278 | -0.009921 | 0.004579 | -0.008929 | 0.000000 |
1311.541600 | 0.085492 | 0.148329 | 0.019395 | 0.002408 | -0.000642 | 0.000271 | -0.000148 | -0.000823 | 0.000000 |
641.517370 | 0.169918 | -0.079058 | -0.345053 | 0.085441 | -0.092247 | 0.037290 | -0.017147 | 0.038238 | 0.000000 |
326.742910 | 0.230185 | -0.167072 | -0.719583 | 0.206373 | -0.217836 | 0.088713 | -0.041117 | 0.078027 | 0.000000 |
170.992380 | 0.141742 | -0.108140 | -0.362709 | 0.105533 | -0.109194 | 0.044076 | -0.020008 | 0.056525 | 0.000000 |
87.402079 | 0.195719 | -0.184389 | 0.692197 | -0.589965 | 0.566624 | -0.238950 | 0.110348 | -0.266283 | 0.000000 |
46.928432 | 0.167973 | -0.163336 | 0.723096 | -0.690748 | 0.717474 | -0.316506 | 0.149422 | -0.257557 | 0.000000 |
22.670645 | 0.029017 | -0.025470 | 0.003167 | 0.548382 | -0.817150 | 0.424052 | -0.205467 | 0.357352 | 0.000000 |
12.590422 | -0.001133 | 0.003135 | -0.135852 | 0.707544 | -1.346610 | 0.776375 | -0.371498 | 1.021100 | 0.000000 |
5.665295 | 0.001720 | -0.001140 | -0.015878 | 0.210739 | 0.791450 | -0.823077 | 0.418903 | -1.626600 | 0.000000 |
2.976385 | -0.000101 | 0.000065 | -0.003756 | 0.098494 | 0.813832 | -0.834605 | 0.461261 | -0.443800 | 0.000000 |
1.072106 | 0.000188 | -0.000141 | -0.000407 | 0.013589 | 0.084496 | 0.762969 | -0.542896 | 3.003270 | 0.000000 |
0.485182 | -0.000054 | 0.000041 | -0.000117 | 0.000613 | 0.017110 | 0.565479 | -0.573336 | -2.143980 | 0.000000 |
0.098183 | 0.000016 | -0.000012 | -0.000013 | 0.000686 | 0.003867 | 0.154493 | 0.792424 | -0.684806 | 0.000000 |
0.039483 | -0.000006 | 0.000005 | -0.000004 | -0.000115 | 0.000230 | 0.066448 | 0.419006 | 1.077590 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)