MOLPRO Basis Query, element=Re, basis=AVTZ-DK3, l=p
Basis Re p AVTZ-DK3
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 | 0.000002 | 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 | 0.000371 | -0.000181 | 0.000094 | -0.000033 | 0.000009 | 0.000015 | 0.000024 | 0.000000 | 0.000000 |
86058.280000 | 0.000889 | -0.000435 | 0.000227 | -0.000079 | 0.000022 | 0.000037 | 0.000059 | 0.000000 | 0.000000 |
33123.230000 | 0.002148 | -0.001056 | 0.000551 | -0.000192 | 0.000053 | 0.000090 | 0.000142 | 0.000000 | 0.000000 |
13758.370000 | 0.005253 | -0.002595 | 0.001355 | -0.000473 | 0.000131 | 0.000222 | 0.000353 | 0.000000 | 0.000000 |
6094.349000 | 0.012961 | -0.006465 | 0.003383 | -0.001180 | 0.000327 | 0.000552 | 0.000872 | 0.000000 | 0.000000 |
2849.444000 | 0.031653 | -0.015995 | 0.008393 | -0.002930 | 0.000812 | 0.001379 | 0.002193 | 0.000000 | 0.000000 |
1393.871000 | 0.073848 | -0.038231 | 0.020151 | -0.007041 | 0.001950 | 0.003289 | 0.005193 | 0.000000 | 0.000000 |
707.910000 | 0.154088 | -0.082511 | 0.043811 | -0.015347 | 0.004258 | 0.007236 | 0.011528 | 0.000000 | 0.000000 |
370.760500 | 0.264701 | -0.148808 | 0.079826 | -0.028025 | 0.007758 | 0.013060 | 0.020577 | 0.000000 | 0.000000 |
199.037200 | 0.329308 | -0.188618 | 0.101689 | -0.035786 | 0.009948 | 0.017013 | 0.027322 | 0.000000 | 0.000000 |
108.908500 | 0.242498 | -0.076806 | 0.030143 | -0.009414 | 0.002530 | 0.003887 | 0.005362 | 0.000000 | 0.000000 |
60.412580 | 0.078897 | 0.240407 | -0.187267 | 0.071907 | -0.019923 | -0.032964 | -0.051306 | 0.000000 | 0.000000 |
33.788680 | 0.000509 | 0.496091 | -0.416973 | 0.164665 | -0.046234 | -0.080046 | -0.131467 | 0.000000 | 0.000000 |
18.945950 | -0.004817 | 0.323066 | -0.186065 | 0.059118 | -0.015771 | -0.023707 | -0.032666 | 0.000000 | 0.000000 |
10.584390 | -0.001356 | 0.075028 | 0.374753 | -0.202329 | 0.057084 | 0.092392 | 0.150273 | 0.000000 | 0.000000 |
5.850571 | -0.000065 | 0.011780 | 0.582421 | -0.351539 | 0.103341 | 0.185605 | 0.316122 | 0.000000 | 0.000000 |
3.174421 | -0.000053 | 0.003205 | 0.265840 | -0.118846 | 0.030954 | 0.038510 | 0.068864 | 0.000000 | 0.000000 |
1.675264 | 0.000015 | 0.000461 | 0.024045 | 0.381480 | -0.126027 | -0.205122 | -0.524055 | 0.000000 | 0.000000 |
0.853145 | -0.000016 | -0.000001 | -0.005930 | 0.541481 | -0.230025 | -0.469381 | -1.003032 | 0.000000 | 0.000000 |
0.417557 | 0.000000 | 0.000039 | -0.004504 | 0.272119 | -0.077227 | 0.049118 | 1.668969 | 0.000000 | 0.000000 |
0.168843 | -0.000002 | -0.000006 | -0.000371 | 0.035908 | 0.333608 | 0.773315 | 0.125347 | 0.000000 | 0.000000 |
0.071228 | 0.000001 | 0.000003 | -0.000065 | -0.001327 | 0.570912 | 0.317304 | -0.956683 | 0.000000 | 0.000000 |
0.029343 | -0.000000 | -0.000001 | 0.000013 | 0.000804 | 0.258595 | 0.006896 | 0.012050 | 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