MOLPRO Basis Query, element=Sm, basis=ROOS_DZP, l=s
Basis Sm s ROOS_DZP
Primitives | Contractions... |
47004000.900000 | 0.000411 | -0.000148 | 0.000068 | -0.000033 | 0.000013 | -0.000004 | 0.000010 |
9115615.200000 | 0.000792 | -0.000285 | 0.000132 | -0.000063 | 0.000025 | -0.000007 | 0.000019 |
2256227.100000 | 0.002062 | -0.000744 | 0.000344 | -0.000164 | 0.000064 | -0.000018 | 0.000050 |
635273.414000 | 0.004523 | -0.001639 | 0.000758 | -0.000361 | 0.000142 | -0.000041 | 0.000110 |
198388.802000 | 0.009949 | -0.003632 | 0.001680 | -0.000802 | 0.000314 | -0.000090 | 0.000245 |
67300.813800 | 0.021114 | -0.007800 | 0.003616 | -0.001726 | 0.000676 | -0.000193 | 0.000526 |
24475.694600 | 0.044741 | -0.016887 | 0.007854 | -0.003749 | 0.001470 | -0.000421 | 0.001152 |
9426.424640 | 0.093518 | -0.036628 | 0.017132 | -0.008201 | 0.003214 | -0.000919 | 0.002487 |
3802.916830 | 0.186205 | -0.078342 | 0.037075 | -0.017754 | 0.006971 | -0.001999 | 0.005499 |
1595.959020 | 0.312775 | -0.150855 | 0.073025 | -0.035273 | 0.013836 | -0.003952 | 0.010615 |
693.599700 | 0.346712 | -0.213298 | 0.107967 | -0.052365 | 0.020668 | -0.005947 | 0.016674 |
308.437310 | 0.160858 | -0.069639 | 0.033623 | -0.016868 | 0.006479 | -0.001777 | 0.003561 |
141.630612 | 0.009527 | 0.427913 | -0.325545 | 0.176175 | -0.070404 | 0.020010 | -0.051464 |
67.398391 | 0.003278 | 0.578270 | -0.629760 | 0.363428 | -0.150240 | 0.043832 | -0.129929 |
32.773725 | -0.002487 | 0.155277 | 0.051534 | -0.036090 | 0.018813 | -0.006795 | 0.039754 |
16.240028 | 0.001668 | 0.005996 | 0.908273 | -1.003550 | 0.468523 | -0.134838 | 0.351686 |
7.925745 | -0.001048 | -0.000876 | 0.341386 | -0.328267 | 0.165895 | -0.054946 | 0.227433 |
3.797976 | 0.000581 | 0.000516 | 0.005571 | 1.063517 | -0.790282 | 0.258949 | -1.096910 |
1.746925 | -0.000264 | -0.000370 | 0.004193 | 0.451156 | -0.504391 | 0.155997 | 0.171062 |
0.673939 | 0.000109 | 0.000165 | -0.001384 | -0.000227 | 0.925467 | -0.366603 | 1.329929 |
0.262573 | -0.000051 | -0.000079 | 0.000603 | 0.006116 | 0.529768 | -0.490821 | -0.496487 |
0.085817 | 0.000024 | 0.000038 | -0.000297 | -0.002397 | -0.022520 | 0.508363 | -1.497551 |
0.030770 | -0.000015 | -0.000024 | 0.000149 | 0.001793 | 0.027072 | 0.802670 | 1.014792 |
0.012308 | 0.000008 | 0.000013 | -0.000093 | -0.000876 | -0.011807 | -0.046314 | 0.350838 |
0.004923 | -0.000003 | -0.000004 | 0.000028 | 0.000269 | 0.003708 | 0.027993 | -0.024222 |
Comment: B. O. Roos, R. Lindh, P.-A. Malmqvist, V. Veryazov, P.-O. Widmark, J. Phys. Chem. A, 112, 11431-11435 (2008)