MOLPRO Basis Query, element=Eu, basis=ROOS_DZP, l=s
Basis Eu s ROOS_DZP
Primitives | Contractions... |
47804974.000000 | 0.000426 | -0.000082 | 0.000077 | -0.000150 | 0.000026 | -0.000004 | 0.000010 |
9354398.010000 | 0.000808 | -0.000155 | 0.000147 | -0.000285 | 0.000049 | -0.000007 | 0.000020 |
2330045.320000 | 0.002101 | -0.000405 | 0.000383 | -0.000741 | 0.000127 | -0.000018 | 0.000051 |
658743.849000 | 0.004575 | -0.000886 | 0.000839 | -0.001620 | 0.000277 | -0.000040 | 0.000112 |
206258.648000 | 0.010023 | -0.001956 | 0.001851 | -0.003572 | 0.000611 | -0.000088 | 0.000248 |
70075.963400 | 0.021152 | -0.004185 | 0.003957 | -0.007619 | 0.001306 | -0.000189 | 0.000529 |
25503.089400 | 0.044571 | -0.009039 | 0.008526 | -0.016368 | 0.002814 | -0.000409 | 0.001154 |
9823.039820 | 0.092588 | -0.019591 | 0.018430 | -0.035151 | 0.006077 | -0.000887 | 0.002477 |
3961.320100 | 0.183324 | -0.042121 | 0.039332 | -0.074240 | 0.012973 | -0.001921 | 0.005450 |
1661.184470 | 0.306593 | -0.082429 | 0.076175 | -0.140457 | 0.025080 | -0.003794 | 0.010485 |
721.312696 | 0.338751 | -0.120930 | 0.109122 | -0.193860 | 0.036054 | -0.005700 | 0.016427 |
320.561956 | 0.159060 | -0.037371 | 0.035383 | -0.064834 | 0.011523 | -0.001689 | 0.003424 |
147.109731 | 0.024232 | 0.353128 | -0.280925 | 0.336997 | -0.096809 | 0.019645 | -0.051015 |
69.985778 | 0.022228 | 0.667432 | -0.495097 | 0.406020 | -0.183300 | 0.042933 | -0.128449 |
34.044587 | 0.003230 | -0.048614 | -0.004897 | 0.163879 | 0.009779 | -0.007150 | 0.040911 |
16.880969 | 0.005731 | -0.918302 | 0.944499 | 0.369824 | 0.445077 | -0.134738 | 0.348634 |
8.237943 | 0.000133 | -0.339606 | 0.288916 | 0.114889 | 0.150625 | -0.049523 | 0.217584 |
3.945683 | -0.001899 | 0.004889 | -1.016890 | -0.353480 | -0.766007 | 0.250899 | -1.089930 |
1.811733 | -0.001101 | -0.000103 | -0.424495 | -0.159401 | -0.470780 | 0.152588 | 0.218975 |
0.693761 | -0.001239 | 0.002262 | -0.003499 | 0.065293 | 0.883035 | -0.353092 | 1.207800 |
0.277505 | -0.000945 | -0.000248 | -0.010370 | 0.037646 | 0.545915 | -0.456181 | -0.275787 |
0.111002 | 0.000096 | 0.000402 | 0.003917 | -0.000739 | -0.027185 | 0.185429 | -1.216652 |
0.044401 | -0.000109 | -0.000146 | -0.002688 | 0.002649 | 0.037305 | 0.855679 | -0.117762 |
0.017760 | 0.000020 | 0.000113 | 0.000946 | -0.000061 | -0.007157 | 0.216555 | 1.125029 |
0.007104 | -0.000009 | -0.000028 | -0.000304 | 0.000129 | 0.003020 | -0.006764 | -0.095850 |
Comment: B. O. Roos, R. Lindh, P.-A. Malmqvist, V. Veryazov, P.-O. Widmark, J. Phys. Chem. A, 112, 11431-11435 (2008)
|