MOLPRO Basis Query, element=Cm, basis=cc-pVQZ-DK3, l=s
Basis Cm s cc-pVQZ-DK3
| Primitives | Contractions... |
|---|
| 55852646.000000 | 0.001528 | 0.002356 | 0.001001 | -0.000141 | 0.000148 | -0.000068 | 0.000027 | 0.000057 | 0.000074 | -0.000096 | 0.000101 | 0.000000 |
| 14867423.000000 | 0.001297 | 0.001998 | 0.000848 | -0.000120 | 0.000125 | -0.000057 | 0.000023 | 0.000048 | 0.000063 | -0.000081 | 0.000085 | 0.000000 |
| 5081741.000000 | 0.003755 | 0.005793 | 0.002462 | -0.000348 | 0.000364 | -0.000167 | 0.000067 | 0.000140 | 0.000183 | -0.000236 | 0.000247 | 0.000000 |
| 1929617.100000 | 0.004505 | 0.006962 | 0.002965 | -0.000420 | 0.000439 | -0.000201 | 0.000081 | 0.000168 | 0.000221 | -0.000285 | 0.000298 | 0.000000 |
| 804497.450000 | 0.008864 | 0.013740 | 0.005873 | -0.000832 | 0.000870 | -0.000398 | 0.000160 | 0.000334 | 0.000438 | -0.000565 | 0.000591 | 0.000000 |
| 356270.500000 | 0.011643 | 0.018142 | 0.007801 | -0.001109 | 0.001158 | -0.000530 | 0.000212 | 0.000444 | 0.000583 | -0.000752 | 0.000785 | 0.000000 |
| 166971.220000 | 0.019644 | 0.030819 | 0.013354 | -0.001905 | 0.001986 | -0.000908 | 0.000364 | 0.000761 | 0.000999 | -0.001288 | 0.001352 | 0.000000 |
| 81811.895000 | 0.025922 | 0.041139 | 0.018059 | -0.002591 | 0.002695 | -0.001232 | 0.000494 | 0.001033 | 0.001357 | -0.001753 | 0.001823 | 0.000000 |
| 41910.477000 | 0.039955 | 0.064273 | 0.028636 | -0.004136 | 0.004291 | -0.001962 | 0.000787 | 0.001645 | 0.002155 | -0.002774 | 0.002940 | 0.000000 |
| 22435.208000 | 0.048930 | 0.080554 | 0.036790 | -0.005372 | 0.005546 | -0.002537 | 0.001018 | 0.002127 | 0.002802 | -0.003635 | 0.003700 | 0.000000 |
| 12657.773000 | 0.067309 | 0.113500 | 0.053130 | -0.007851 | 0.008068 | -0.003691 | 0.001481 | 0.003092 | 0.004029 | -0.005144 | 0.005686 | 0.000000 |
| 7524.521700 | 0.070053 | 0.123320 | 0.060215 | -0.009053 | 0.009229 | -0.004222 | 0.001694 | 0.003546 | 0.004729 | -0.006241 | 0.005786 | 0.000000 |
| 4613.018100 | 0.091665 | 0.167267 | 0.084417 | -0.012922 | 0.013095 | -0.005992 | 0.002404 | 0.005013 | 0.006419 | -0.007989 | 0.009974 | 0.000000 |
| 2835.685300 | 0.085972 | 0.167328 | 0.089266 | -0.013942 | 0.013977 | -0.006397 | 0.002566 | 0.005387 | 0.007382 | -0.010103 | 0.007516 | 0.000000 |
| 1734.685900 | 0.091648 | 0.176647 | 0.093050 | -0.014491 | 0.014611 | -0.006684 | 0.002684 | 0.005565 | 0.006725 | -0.007607 | 0.013664 | 0.000000 |
| 1061.065700 | 0.066546 | 0.081751 | 0.018675 | -0.000129 | 0.001212 | -0.000546 | 0.000214 | 0.000528 | 0.001794 | -0.004349 | -0.006393 | 0.000000 |
| 659.824650 | 0.086064 | -0.006292 | -0.103070 | 0.028081 | -0.023032 | 0.010601 | -0.004250 | -0.009088 | -0.014185 | 0.022551 | -0.002494 | 0.000000 |
| 431.540220 | 0.106851 | -0.127293 | -0.293784 | 0.081138 | -0.067154 | 0.030923 | -0.012435 | -0.025782 | -0.030409 | 0.032990 | -0.069306 | 0.000000 |
| 275.072400 | 0.161351 | -0.166555 | -0.512398 | 0.161375 | -0.128131 | 0.059155 | -0.023754 | -0.050296 | -0.071203 | 0.101799 | -0.062846 | 0.000000 |
| 166.483530 | 0.120382 | -0.144301 | -0.479120 | 0.168995 | -0.133062 | 0.061736 | -0.024859 | -0.051663 | -0.061682 | 0.068543 | -0.133519 | 0.000000 |
| 97.477009 | 0.087030 | -0.106131 | 0.122347 | -0.132320 | 0.092209 | -0.043774 | 0.017728 | 0.036423 | 0.037262 | -0.028375 | 0.132979 | 0.000000 |
| 59.956967 | 0.114629 | -0.178205 | 0.707436 | -0.658258 | 0.493855 | -0.238246 | 0.096397 | 0.209106 | 0.305192 | -0.466220 | 0.361253 | 0.000000 |
| 36.441767 | 0.086929 | -0.123419 | 0.546413 | -0.591797 | 0.444313 | -0.214882 | 0.087220 | 0.184035 | 0.210564 | -0.197663 | 0.505066 | 0.000000 |
| 22.517916 | 0.020408 | -0.035028 | 0.083298 | 0.183666 | -0.154434 | 0.073352 | -0.029869 | -0.073013 | -0.062567 | 0.022148 | -0.737430 | 0.000000 |
| 14.120285 | 0.007965 | -0.003091 | -0.106959 | 0.771263 | -0.926686 | 0.539321 | -0.224979 | -0.503539 | -0.809432 | 1.432430 | -0.623084 | 0.000000 |
| 8.914790 | 0.000852 | -0.002629 | -0.082475 | 0.500749 | -0.811829 | 0.484102 | -0.203385 | -0.456274 | -0.475893 | 0.110959 | -1.396480 | 0.000000 |
| 5.530025 | 0.001681 | 0.000625 | -0.014738 | 0.114081 | 0.253118 | -0.229835 | 0.101631 | 0.269150 | 0.277130 | 0.197404 | 1.900930 | 0.000000 |
| 3.355086 | -0.000572 | -0.000917 | -0.002033 | 0.017974 | 0.871070 | -0.831847 | 0.375726 | 1.054280 | 2.195250 | -6.399730 | 8.307180 | 0.000000 |
| 2.032024 | 0.000618 | 0.000343 | 0.001338 | 0.007415 | 0.447773 | -0.564923 | 0.273427 | 0.876879 | 0.607283 | 5.883170 | -18.548500 | 0.000000 |
| 1.259368 | -0.000346 | -0.000347 | -0.000755 | 0.000883 | 0.084249 | 0.121824 | -0.081492 | -1.365580 | -3.699930 | 4.806230 | 10.606700 | 0.000000 |
| 0.768241 | 0.000214 | 0.000183 | 0.000476 | 0.000052 | 0.026586 | 0.542965 | -0.302675 | -1.134080 | -0.791706 | -7.651710 | 7.009910 | 0.000000 |
| 0.460362 | -0.000103 | -0.000096 | -0.000250 | -0.000175 | 0.018399 | 0.535969 | -0.400441 | -0.115641 | 2.891150 | -0.884097 | -11.161400 | 0.000000 |
| 0.261079 | 0.000043 | 0.000036 | 0.000094 | -0.000027 | 0.006921 | 0.180998 | -0.247880 | 1.017830 | 1.021350 | 4.472800 | 2.311890 | 0.000000 |
| 0.124240 | -0.000018 | -0.000016 | -0.000042 | -0.000013 | 0.000558 | 0.028283 | 0.098127 | 0.950881 | -1.791260 | -0.200505 | 5.058590 | 0.000000 |
| 0.069163 | 0.000010 | 0.000008 | 0.000022 | -0.000014 | 0.000794 | 0.065265 | 0.486496 | -0.058243 | -0.772288 | -2.221050 | -4.055140 | 0.000000 |
| 0.034930 | -0.000003 | -0.000003 | -0.000008 | -0.000020 | 0.000836 | 0.071730 | 0.525894 | -0.629583 | 0.685909 | 0.367057 | -0.628688 | 0.000000 |
| 0.017365 | 0.000001 | 0.000001 | 0.000002 | -0.000004 | 0.000195 | 0.016356 | 0.121598 | -0.308900 | 0.537745 | 0.764692 | 1.389830 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)