MOLPRO Basis Query, element=Md, basis=cc-pwCVTZ-X2C, l=s
Basis Md s cc-pwCVTZ-X2C
| Primitives | Contractions... |
|---|
| 54906039.000000 | 0.005137 | -0.001615 | 0.002064 | -0.000277 | 0.000310 | -0.000141 | 0.000052 | 0.000116 | -0.000157 | -0.000200 | 0.000000 | 0.000000 | 0.000000 |
| 14609449.000000 | 0.003122 | -0.000985 | 0.001259 | -0.000169 | 0.000189 | -0.000086 | 0.000032 | 0.000071 | -0.000096 | -0.000122 | 0.000000 | 0.000000 | 0.000000 |
| 4985944.700000 | 0.010311 | -0.003254 | 0.004159 | -0.000558 | 0.000625 | -0.000284 | 0.000105 | 0.000233 | -0.000317 | -0.000404 | 0.000000 | 0.000000 | 0.000000 |
| 1887670.600000 | 0.009744 | -0.003101 | 0.003963 | -0.000533 | 0.000597 | -0.000271 | 0.000100 | 0.000223 | -0.000303 | -0.000385 | 0.000000 | 0.000000 | 0.000000 |
| 783846.340000 | 0.021197 | -0.006764 | 0.008644 | -0.001165 | 0.001303 | -0.000591 | 0.000218 | 0.000486 | -0.000661 | -0.000842 | 0.000000 | 0.000000 | 0.000000 |
| 345055.320000 | 0.024010 | -0.007782 | 0.009946 | -0.001348 | 0.001504 | -0.000682 | 0.000252 | 0.000561 | -0.000763 | -0.000971 | 0.000000 | 0.000000 | 0.000000 |
| 160277.270000 | 0.043726 | -0.014287 | 0.018263 | -0.002483 | 0.002768 | -0.001255 | 0.000463 | 0.001032 | -0.001404 | -0.001792 | 0.000000 | 0.000000 | 0.000000 |
| 77493.768000 | 0.054113 | -0.018150 | 0.023204 | -0.003184 | 0.003535 | -0.001603 | 0.000591 | 0.001320 | -0.001791 | -0.002275 | 0.000000 | 0.000000 | 0.000000 |
| 38865.309000 | 0.088983 | -0.030381 | 0.038855 | -0.005369 | 0.005945 | -0.002696 | 0.000994 | 0.002213 | -0.003020 | -0.003865 | 0.000000 | 0.000000 | 0.000000 |
| 20086.035000 | 0.112559 | -0.040066 | 0.051274 | -0.007186 | 0.007908 | -0.003585 | 0.001322 | 0.002959 | -0.003999 | -0.005053 | 0.000000 | 0.000000 | 0.000000 |
| 10670.680000 | 0.165549 | -0.061018 | 0.078194 | -0.011117 | 0.012168 | -0.005520 | 0.002035 | 0.004515 | -0.006203 | -0.008007 | 0.000000 | 0.000000 | 0.000000 |
| 5803.993000 | 0.190626 | -0.074999 | 0.096328 | -0.013991 | 0.015166 | -0.006872 | 0.002536 | 0.005712 | -0.007627 | -0.009490 | 0.000000 | 0.000000 | 0.000000 |
| 3221.823200 | 0.222031 | -0.090811 | 0.116888 | -0.017265 | 0.018619 | -0.008454 | 0.003114 | 0.006826 | -0.009599 | -0.012739 | 0.000000 | 0.000000 | 0.000000 |
| 1814.467700 | 0.175941 | -0.067246 | 0.084699 | -0.011679 | 0.012910 | -0.005830 | 0.002159 | 0.005063 | -0.006233 | -0.006898 | 0.000000 | 0.000000 | 0.000000 |
| 1030.369500 | 0.113468 | 0.008122 | -0.027633 | 0.011484 | -0.008988 | 0.004046 | -0.001514 | -0.003892 | 0.004028 | 0.003163 | 0.000000 | 0.000000 | 0.000000 |
| 584.672490 | 0.026962 | 0.162012 | -0.299200 | 0.079635 | -0.070242 | 0.032056 | -0.011794 | -0.025413 | 0.037303 | 0.052055 | 0.000000 | 0.000000 | 0.000000 |
| 335.939730 | 0.020506 | 0.247115 | -0.571969 | 0.175222 | -0.148440 | 0.067523 | -0.025030 | -0.058075 | 0.074281 | 0.087719 | 0.000000 | 0.000000 | 0.000000 |
| 194.365650 | 0.004927 | 0.182917 | -0.500362 | 0.172559 | -0.144804 | 0.066768 | -0.024515 | -0.051172 | 0.080106 | 0.119310 | 0.000000 | 0.000000 | 0.000000 |
| 112.069350 | -0.002085 | 0.149288 | 0.156136 | -0.162456 | 0.122723 | -0.058524 | 0.021377 | 0.040306 | -0.075936 | -0.129893 | 0.000000 | 0.000000 | 0.000000 |
| 67.329618 | -0.031607 | 0.239761 | 0.740115 | -0.708941 | 0.566913 | -0.269653 | 0.101132 | 0.248482 | -0.313101 | -0.386239 | 0.000000 | 0.000000 | 0.000000 |
| 39.952941 | -0.013770 | 0.155510 | 0.514408 | -0.541228 | 0.439738 | -0.215560 | 0.079152 | 0.151847 | -0.276379 | -0.441234 | 0.000000 | 0.000000 | 0.000000 |
| 23.427317 | -0.005661 | 0.032546 | 0.014834 | 0.407344 | -0.408873 | 0.216706 | -0.079159 | -0.149267 | 0.391193 | 0.886660 | 0.000000 | 0.000000 | 0.000000 |
| 14.431121 | 0.005258 | 0.002102 | -0.124579 | 0.800803 | -1.195880 | 0.719677 | -0.282677 | -0.758780 | 0.807343 | 0.562681 | 0.000000 | 0.000000 | 0.000000 |
| 8.832191 | -0.001232 | 0.001799 | -0.054625 | 0.330399 | -0.427937 | 0.229133 | -0.078771 | -0.058980 | 0.504905 | 1.572650 | 0.000000 | 0.000000 | 0.000000 |
| 5.190783 | 0.001522 | -0.000212 | -0.004666 | 0.062372 | 0.765358 | -0.696991 | 0.271118 | 0.610207 | -1.853980 | -5.407010 | 0.000000 | 0.000000 | 0.000000 |
| 3.119811 | -0.000975 | 0.000565 | -0.000831 | 0.023201 | 0.725694 | -0.808636 | 0.365429 | 1.485010 | -1.587930 | 0.218206 | 0.000000 | 0.000000 | 0.000000 |
| 1.856006 | 0.000536 | -0.000122 | 0.000433 | 0.007148 | 0.196937 | -0.148674 | 0.033047 | -0.997393 | 2.287730 | 8.449670 | 0.000000 | 0.000000 | 0.000000 |
| 1.077469 | -0.000257 | 0.000095 | -0.000239 | 0.000413 | 0.033193 | 0.563156 | -0.254907 | -1.113160 | 2.699400 | -6.184130 | 0.000000 | 0.000000 | 0.000000 |
| 0.586128 | 0.000098 | -0.000030 | 0.000072 | 0.000346 | 0.021733 | 0.649539 | -0.460100 | -0.576776 | -3.487710 | -2.277330 | 0.000000 | 0.000000 | 0.000000 |
| 0.301966 | -0.000030 | 0.000011 | -0.000034 | 0.000045 | 0.006477 | 0.194583 | -0.210740 | 1.388750 | -0.231787 | 4.403050 | 0.000000 | 0.000000 | 0.000000 |
| 0.096208 | 0.000009 | -0.000003 | 0.000008 | 0.000008 | 0.000766 | 0.055397 | 0.415224 | 0.888812 | 2.106580 | -1.876050 | 0.000000 | 0.000000 | 0.000000 |
| 0.046254 | -0.000005 | 0.000002 | -0.000005 | -0.000007 | 0.000752 | 0.068911 | 0.601821 | -0.770667 | -0.691305 | -0.401720 | 0.000000 | 0.000000 | 0.000000 |
| 0.021372 | 0.000001 | -0.000000 | 0.000001 | 0.000001 | 0.000268 | 0.022890 | 0.194259 | -0.431232 | -0.658482 | 0.973689 | 1.000000 | 0.000000 | 0.000000 |
| 9.796771 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 6.160171 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
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