MOLPRO Basis Query, element=Dy, basis=ROOS_DZP, l=p
Basis Dy p ROOS_DZP
Primitives | Contractions... |
6873747.250000 | 0.000027 | -0.000013 | 0.000006 | -0.000002 | 0.000002 | -0.000003 |
1057919.640000 | 0.000089 | -0.000044 | 0.000021 | -0.000007 | 0.000006 | -0.000010 |
224119.965000 | 0.000296 | -0.000147 | 0.000070 | -0.000024 | 0.000019 | -0.000035 |
57590.486900 | 0.000967 | -0.000482 | 0.000229 | -0.000079 | 0.000064 | -0.000113 |
17230.954600 | 0.003204 | -0.001606 | 0.000762 | -0.000264 | 0.000213 | -0.000380 |
5880.064300 | 0.010592 | -0.005354 | 0.002550 | -0.000884 | 0.000709 | -0.001255 |
2242.725240 | 0.033822 | -0.017349 | 0.008274 | -0.002870 | 0.002317 | -0.004142 |
933.490886 | 0.097757 | -0.051623 | 0.024841 | -0.008631 | 0.006921 | -0.012228 |
414.230948 | 0.230865 | -0.127697 | 0.061929 | -0.021558 | 0.017446 | -0.031306 |
191.936524 | 0.380986 | -0.223893 | 0.110793 | -0.038705 | 0.030966 | -0.054430 |
91.622127 | 0.332930 | -0.152413 | 0.067213 | -0.022924 | 0.019039 | -0.035637 |
43.861143 | 0.100854 | 0.292513 | -0.211349 | 0.079425 | -0.067066 | 0.126529 |
21.545275 | 0.002737 | 0.603001 | -0.480316 | 0.184037 | -0.151218 | 0.272249 |
10.546911 | 0.001266 | 0.242495 | 0.053688 | -0.048009 | 0.045491 | -0.094030 |
5.011103 | -0.000753 | 0.014060 | 0.718254 | -0.377350 | 0.378398 | -0.832899 |
2.302202 | 0.000314 | 0.001874 | 0.377773 | -0.199182 | 0.040453 | 0.379740 |
1.006158 | -0.000159 | -0.000628 | 0.020671 | 0.496965 | -0.688044 | 1.230041 |
0.402463 | 0.000076 | 0.000320 | 0.004782 | 0.612747 | -0.075192 | -1.200889 |
0.160985 | -0.000042 | -0.000168 | -0.002172 | 0.109165 | 0.499114 | -0.335167 |
0.064394 | 0.000023 | 0.000093 | 0.001211 | 0.007702 | 0.532865 | 0.830575 |
0.025758 | -0.000011 | -0.000044 | -0.000596 | -0.002055 | 0.061558 | 0.078221 |
0.010303 | 0.000003 | 0.000014 | 0.000190 | 0.000839 | 0.000365 | 0.008726 |
Comment: B. O. Roos, R. Lindh, P.-A. Malmqvist, V. Veryazov, P.-O. Widmark, J. Phys. Chem. A, 112, 11431-11435 (2008)
|