MOLPRO Basis Query, element=Gd, basis=ROOS_DZP, l=p
Basis Gd p ROOS_DZP
Primitives | Contractions... |
5979841.010000 | 0.000026 | -0.000013 | 0.000006 | -0.000002 | 0.000001 | -0.000003 |
909355.731000 | 0.000089 | -0.000044 | 0.000021 | -0.000007 | 0.000003 | -0.000009 |
191924.141000 | 0.000299 | -0.000147 | 0.000070 | -0.000025 | 0.000010 | -0.000031 |
49379.840900 | 0.000992 | -0.000491 | 0.000233 | -0.000083 | 0.000032 | -0.000102 |
14859.124100 | 0.003338 | -0.001661 | 0.000786 | -0.000280 | 0.000108 | -0.000346 |
5114.026610 | 0.011159 | -0.005603 | 0.002661 | -0.000949 | 0.000365 | -0.001159 |
1967.877340 | 0.035793 | -0.018240 | 0.008677 | -0.003098 | 0.001196 | -0.003840 |
825.688444 | 0.102844 | -0.054033 | 0.025937 | -0.009264 | 0.003565 | -0.011297 |
369.025635 | 0.238736 | -0.131448 | 0.063609 | -0.022797 | 0.008809 | -0.028416 |
172.143640 | 0.382997 | -0.224165 | 0.110649 | -0.039715 | 0.015267 | -0.048075 |
82.648906 | 0.322545 | -0.139861 | 0.060129 | -0.021103 | 0.008274 | -0.028339 |
39.648067 | 0.093470 | 0.306888 | -0.219456 | 0.085168 | -0.033593 | 0.115513 |
19.555466 | 0.002065 | 0.595953 | -0.473636 | 0.186226 | -0.071975 | 0.230860 |
9.598678 | 0.001262 | 0.234226 | 0.063029 | -0.052378 | 0.020847 | -0.081341 |
4.576273 | -0.000761 | 0.013473 | 0.719225 | -0.395090 | 0.163332 | -0.650944 |
2.114185 | 0.000311 | 0.001847 | 0.373008 | -0.197309 | 0.081299 | 0.042884 |
0.930747 | -0.000155 | -0.000621 | 0.018866 | 0.523768 | -0.298910 | 1.386178 |
0.379972 | 0.000071 | 0.000270 | 0.003999 | 0.605913 | -0.309381 | -0.889738 |
0.137824 | -0.000035 | -0.000137 | -0.001888 | 0.100649 | 0.348892 | -0.672955 |
0.055130 | 0.000020 | 0.000080 | 0.001101 | -0.005189 | 0.686200 | 0.526913 |
0.022052 | -0.000010 | -0.000039 | -0.000549 | 0.003002 | 0.139489 | 0.286334 |
0.008821 | 0.000003 | 0.000013 | 0.000177 | -0.000820 | 0.013464 | 0.044657 |
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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