MOLPRO Basis Query, element=Ho, basis=ROOS_DZP, l=s
Basis Ho s ROOS_DZP
Primitives | Contractions... |
49421634.700000 | 0.000537 | -0.000197 | 0.000092 | -0.000045 | 0.000017 | -0.000005 | 0.000012 |
10063669.200000 | 0.000948 | -0.000349 | 0.000163 | -0.000079 | 0.000030 | -0.000009 | 0.000022 |
2581201.030000 | 0.002449 | -0.000903 | 0.000423 | -0.000204 | 0.000079 | -0.000023 | 0.000057 |
744311.315000 | 0.005173 | -0.001916 | 0.000897 | -0.000433 | 0.000167 | -0.000048 | 0.000121 |
236206.874000 | 0.011143 | -0.004157 | 0.001949 | -0.000941 | 0.000364 | -0.000104 | 0.000263 |
80936.087500 | 0.022992 | -0.008685 | 0.004079 | -0.001971 | 0.000761 | -0.000218 | 0.000549 |
29599.304800 | 0.047435 | -0.018312 | 0.008633 | -0.004172 | 0.001613 | -0.000462 | 0.001172 |
11422.605500 | 0.096332 | -0.038599 | 0.018301 | -0.008868 | 0.003422 | -0.000980 | 0.002460 |
4603.664850 | 0.187241 | -0.080493 | 0.038622 | -0.018732 | 0.007253 | -0.002079 | 0.005300 |
1925.978730 | 0.310012 | -0.151967 | 0.074548 | -0.036452 | 0.014062 | -0.004025 | 0.010037 |
833.679565 | 0.343840 | -0.211414 | 0.108291 | -0.053205 | 0.020736 | -0.005953 | 0.015473 |
369.548207 | 0.162121 | -0.063154 | 0.029075 | -0.014547 | 0.005285 | -0.001485 | 0.002591 |
169.283367 | 0.010223 | 0.433942 | -0.338648 | 0.186301 | -0.072834 | 0.020851 | -0.050048 |
80.461416 | 0.003232 | 0.573686 | -0.637092 | 0.375867 | -0.154400 | 0.044702 | -0.122984 |
39.199651 | -0.002483 | 0.148763 | 0.089221 | -0.071237 | 0.037236 | -0.011347 | 0.048164 |
19.483858 | 0.001624 | 0.005852 | 0.916205 | -1.050759 | 0.478372 | -0.139245 | 0.344185 |
9.499907 | -0.001048 | -0.001170 | 0.315386 | -0.233891 | 0.122855 | -0.038199 | 0.155183 |
4.538541 | 0.000630 | 0.000656 | 0.004749 | 1.080435 | -0.825665 | 0.261059 | -1.033912 |
2.069720 | -0.000230 | -0.000444 | 0.003643 | 0.401275 | -0.389623 | 0.126198 | 0.324215 |
0.770437 | 0.000054 | 0.000226 | -0.001388 | -0.002953 | 0.922101 | -0.375545 | 1.049091 |
0.308175 | -0.000104 | -0.000114 | 0.000525 | 0.007251 | 0.471748 | -0.419947 | -0.304246 |
0.123270 | 0.000044 | 0.000073 | -0.000362 | -0.003775 | -0.018118 | 0.229899 | -1.013947 |
0.049308 | -0.000011 | -0.000044 | 0.000220 | 0.001995 | 0.035680 | 0.789106 | -0.282634 |
0.019723 | 0.000015 | 0.000018 | -0.000085 | -0.001010 | -0.002683 | 0.233573 | 1.043013 |
0.007889 | -0.000003 | -0.000006 | 0.000027 | 0.000284 | 0.002428 | 0.009490 | 0.079899 |
Comment: B. O. Roos, R. Lindh, P.-A. Malmqvist, V. Veryazov, P.-O. Widmark, J. Phys. Chem. A, 112, 11431-11435 (2008)
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