MOLPRO Basis Query, element=Re, basis=AVTZ-DK, l=p
Basis Re p AVTZ-DK
Primitives | Contractions... |
333690700.000000 | 0.000003 | -0.000001 | 0.000001 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
56039040.000000 | 0.000008 | -0.000004 | 0.000002 | -0.000001 | 0.000000 | 0.000000 | 0.000001 | 0.000000 | 0.000000 |
11443540.000000 | 0.000023 | -0.000011 | 0.000006 | -0.000002 | 0.000001 | 0.000001 | 0.000002 | 0.000000 | 0.000000 |
2766417.000000 | 0.000061 | -0.000030 | 0.000016 | -0.000005 | 0.000001 | 0.000003 | 0.000004 | 0.000000 | 0.000000 |
773149.400000 | 0.000153 | -0.000075 | 0.000039 | -0.000013 | 0.000004 | 0.000006 | 0.000010 | 0.000000 | 0.000000 |
244643.300000 | 0.000370 | -0.000181 | 0.000094 | -0.000033 | 0.000009 | 0.000015 | 0.000024 | 0.000000 | 0.000000 |
86058.280000 | 0.000889 | -0.000436 | 0.000227 | -0.000079 | 0.000022 | 0.000037 | 0.000059 | 0.000000 | 0.000000 |
33123.230000 | 0.002147 | -0.001057 | 0.000551 | -0.000192 | 0.000053 | 0.000090 | 0.000142 | 0.000000 | 0.000000 |
13758.370000 | 0.005251 | -0.002599 | 0.001356 | -0.000473 | 0.000131 | 0.000222 | 0.000352 | 0.000000 | 0.000000 |
6094.349000 | 0.012959 | -0.006474 | 0.003383 | -0.001180 | 0.000327 | 0.000551 | 0.000871 | 0.000000 | 0.000000 |
2849.444000 | 0.031647 | -0.016016 | 0.008394 | -0.002932 | 0.000813 | 0.001378 | 0.002191 | 0.000000 | 0.000000 |
1393.871000 | 0.073830 | -0.038280 | 0.020152 | -0.007045 | 0.001950 | 0.003286 | 0.005187 | 0.000000 | 0.000000 |
707.910000 | 0.154046 | -0.082614 | 0.043812 | -0.015355 | 0.004259 | 0.007228 | 0.011516 | 0.000000 | 0.000000 |
370.760500 | 0.264616 | -0.148980 | 0.079826 | -0.028038 | 0.007759 | 0.013045 | 0.020551 | 0.000000 | 0.000000 |
199.037200 | 0.329192 | -0.188820 | 0.101683 | -0.035800 | 0.009949 | 0.016993 | 0.027294 | 0.000000 | 0.000000 |
108.908500 | 0.242438 | -0.076936 | 0.030124 | -0.009412 | 0.002528 | 0.003880 | 0.005339 | 0.000000 | 0.000000 |
60.412580 | 0.079031 | 0.240390 | -0.187287 | 0.071945 | -0.019929 | -0.032934 | -0.051230 | 0.000000 | 0.000000 |
33.788680 | 0.000815 | 0.496100 | -0.416953 | 0.164729 | -0.046244 | -0.079948 | -0.131352 | 0.000000 | 0.000000 |
18.945950 | -0.004615 | 0.323037 | -0.186009 | 0.059114 | -0.015763 | -0.023677 | -0.032515 | 0.000000 | 0.000000 |
10.584390 | -0.001307 | 0.075010 | 0.374762 | -0.202398 | 0.057095 | 0.092310 | 0.149917 | 0.000000 | 0.000000 |
5.850571 | -0.000056 | 0.011784 | 0.582380 | -0.351624 | 0.103366 | 0.185353 | 0.315998 | 0.000000 | 0.000000 |
3.174421 | -0.000050 | 0.003206 | 0.265779 | -0.118855 | 0.030939 | 0.038508 | 0.068194 | 0.000000 | 0.000000 |
1.675264 | 0.000016 | 0.000461 | 0.024078 | 0.381524 | -0.126062 | -0.204968 | -0.521882 | 0.000000 | 0.000000 |
0.853145 | -0.000016 | -0.000002 | -0.005850 | 0.541500 | -0.230091 | -0.468541 | -1.003305 | 0.000000 | 0.000000 |
0.417557 | 0.000000 | 0.000039 | -0.004463 | 0.272079 | -0.077233 | 0.048347 | 1.664969 | 0.000000 | 0.000000 |
0.168843 | -0.000002 | -0.000006 | -0.000365 | 0.035864 | 0.333907 | 0.772480 | 0.130892 | 0.000000 | 0.000000 |
0.071228 | 0.000001 | 0.000003 | -0.000065 | -0.001323 | 0.571110 | 0.318444 | -0.958719 | 0.000000 | 0.000000 |
0.029343 | -0.000000 | -0.000001 | 0.000013 | 0.000802 | 0.258095 | 0.006984 | 0.011510 | 1.000000 | 0.000000 |
0.012100 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database