MOLPRO Basis Query, element=Pr, basis=ROOS_DZP, l=s
Basis Pr s ROOS_DZP
Primitives | Contractions... |
45930612.700000 | 0.000347 | -0.000123 | 0.000056 | -0.000027 | 0.000011 | -0.000003 | 0.000008 |
8598448.440000 | 0.000709 | -0.000252 | 0.000115 | -0.000055 | 0.000022 | -0.000007 | 0.000017 |
2075998.450000 | 0.001859 | -0.000663 | 0.000303 | -0.000143 | 0.000057 | -0.000017 | 0.000044 |
575022.132000 | 0.004172 | -0.001493 | 0.000684 | -0.000323 | 0.000129 | -0.000039 | 0.000100 |
177618.160000 | 0.009306 | -0.003354 | 0.001538 | -0.000726 | 0.000291 | -0.000088 | 0.000225 |
59841.465700 | 0.020101 | -0.007330 | 0.003366 | -0.001592 | 0.000637 | -0.000192 | 0.000490 |
21675.994200 | 0.043335 | -0.016140 | 0.007437 | -0.003515 | 0.001408 | -0.000425 | 0.001094 |
8333.657350 | 0.092232 | -0.035643 | 0.016515 | -0.007829 | 0.003134 | -0.000945 | 0.002400 |
3362.455940 | 0.186300 | -0.077410 | 0.036284 | -0.017201 | 0.006901 | -0.002084 | 0.005395 |
1413.100850 | 0.315126 | -0.150625 | 0.072242 | -0.034558 | 0.013850 | -0.004171 | 0.010509 |
615.297422 | 0.348004 | -0.214326 | 0.107564 | -0.051633 | 0.020819 | -0.006303 | 0.016668 |
273.930697 | 0.158820 | -0.071145 | 0.034813 | -0.017423 | 0.006858 | -0.002015 | 0.003711 |
125.903890 | 0.008793 | 0.427895 | -0.320593 | 0.171424 | -0.069950 | 0.021024 | -0.050316 |
59.922924 | 0.003335 | 0.579069 | -0.623281 | 0.353954 | -0.149265 | 0.045705 | -0.128509 |
29.084795 | -0.002500 | 0.156404 | 0.038322 | -0.022610 | 0.012775 | -0.004855 | 0.036684 |
14.369957 | 0.001676 | 0.006037 | 0.901454 | -0.971626 | 0.462163 | -0.141234 | 0.335698 |
7.006746 | -0.001068 | -0.000775 | 0.352611 | -0.372714 | 0.195152 | -0.065271 | 0.262064 |
3.358220 | 0.000606 | 0.000482 | 0.005732 | 1.049888 | -0.790583 | 0.270462 | -1.078499 |
1.551260 | -0.000290 | -0.000370 | 0.004738 | 0.476785 | -0.557307 | 0.190615 | 0.030391 |
0.611869 | 0.000132 | 0.000181 | -0.001777 | -0.000190 | 0.928662 | -0.402646 | 1.516502 |
0.243568 | -0.000073 | -0.000108 | 0.000936 | 0.009216 | 0.560461 | -0.524346 | -0.477898 |
0.097427 | 0.000042 | 0.000062 | -0.000533 | -0.004447 | -0.039908 | 0.333809 | -1.429076 |
0.038971 | -0.000023 | -0.000034 | 0.000283 | 0.002644 | 0.037706 | 0.867322 | 0.438273 |
0.015588 | 0.000011 | 0.000016 | -0.000137 | -0.001158 | -0.012146 | 0.109694 | 0.806329 |
0.006235 | -0.000003 | -0.000005 | 0.000039 | 0.000340 | 0.003877 | 0.002230 | -0.069987 |
Comment: B. O. Roos, R. Lindh, P.-A. Malmqvist, V. Veryazov, P.-O. Widmark, J. Phys. Chem. A, 112, 11431-11435 (2008)