MOLPRO Basis Query, element=Re, basis=AWCVTZ-DK3, l=s
Basis Re s AWCVTZ-DK3
Primitives | Contractions... |
22031900000.000000 | 0.000013 | -0.000006 | 0.000003 | -0.000002 | 0.000000 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3184241000.000000 | 0.000038 | -0.000017 | 0.000007 | -0.000004 | 0.000001 | -0.000000 | -0.000001 | -0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
606595700.000000 | 0.000107 | -0.000046 | 0.000020 | -0.000012 | 0.000004 | -0.000001 | -0.000002 | -0.000003 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
144151100.000000 | 0.000246 | -0.000106 | 0.000046 | -0.000027 | 0.000009 | -0.000003 | -0.000004 | -0.000007 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
40775010.000000 | 0.000514 | -0.000221 | 0.000097 | -0.000057 | 0.000019 | -0.000006 | -0.000009 | -0.000014 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
13198790.000000 | 0.000991 | -0.000426 | 0.000187 | -0.000109 | 0.000037 | -0.000011 | -0.000018 | -0.000027 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
4733085.000000 | 0.001820 | -0.000784 | 0.000344 | -0.000201 | 0.000068 | -0.000020 | -0.000032 | -0.000050 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1831720.000000 | 0.003234 | -0.001395 | 0.000613 | -0.000358 | 0.000121 | -0.000035 | -0.000058 | -0.000089 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
749492.100000 | 0.005655 | -0.002448 | 0.001077 | -0.000629 | 0.000214 | -0.000062 | -0.000101 | -0.000155 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
319255.000000 | 0.009822 | -0.004273 | 0.001885 | -0.001101 | 0.000373 | -0.000108 | -0.000178 | -0.000273 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
140006.800000 | 0.017073 | -0.007485 | 0.003315 | -0.001934 | 0.000656 | -0.000190 | -0.000311 | -0.000473 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
62750.060000 | 0.029801 | -0.013228 | 0.005893 | -0.003436 | 0.001166 | -0.000338 | -0.000558 | -0.000858 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28622.510000 | 0.052213 | -0.023624 | 0.010617 | -0.006183 | 0.002099 | -0.000608 | -0.000990 | -0.001501 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
13264.580000 | 0.090925 | -0.042441 | 0.019350 | -0.011247 | 0.003816 | -0.001105 | -0.001836 | -0.002841 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6246.701000 | 0.153142 | -0.075209 | 0.035069 | -0.020330 | 0.006910 | -0.002002 | -0.003238 | -0.004869 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2993.654000 | 0.233936 | -0.125311 | 0.060643 | -0.035037 | 0.011900 | -0.003447 | -0.005788 | -0.009060 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1462.978000 | 0.284903 | -0.175114 | 0.089545 | -0.051617 | 0.017619 | -0.005106 | -0.008080 | -0.011863 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
730.544800 | 0.220071 | -0.150067 | 0.080223 | -0.046294 | 0.015734 | -0.004560 | -0.008258 | -0.013870 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
373.284800 | 0.079441 | 0.062751 | -0.063114 | 0.038096 | -0.013252 | 0.003853 | 0.008195 | 0.015534 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
195.199900 | 0.020866 | 0.396521 | -0.386068 | 0.248461 | -0.089585 | 0.026078 | 0.038601 | 0.052711 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
104.280500 | 0.012977 | 0.421710 | -0.544347 | 0.383455 | -0.140893 | 0.041152 | 0.077593 | 0.134907 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
56.669970 | 0.008364 | 0.159739 | -0.044954 | 0.013717 | -0.006236 | 0.001763 | -0.017510 | -0.059353 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
31.095900 | 0.020793 | 0.080515 | 0.659600 | -0.870247 | 0.401060 | -0.119517 | -0.160389 | -0.198500 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.036660 | 0.013525 | 0.046677 | 0.438857 | -0.751097 | 0.353123 | -0.106111 | -0.244620 | -0.479717 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
9.175137 | 0.002767 | 0.008860 | 0.124355 | 0.546191 | -0.366070 | 0.114108 | 0.306943 | 0.672828 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
4.757896 | 0.001377 | 0.004117 | 0.093970 | 0.881660 | -0.881848 | 0.295942 | 0.337718 | 0.386770 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2.313968 | 0.000227 | 0.000686 | 0.016386 | 0.171009 | -0.102052 | 0.034876 | 0.409138 | 0.918909 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.194062 | -0.000006 | -0.000008 | -0.000490 | -0.006217 | 0.864861 | -0.403367 | -1.514343 | -4.265477 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.557291 | -0.000006 | -0.000013 | -0.000280 | 0.001595 | 0.521653 | -0.375471 | 0.097186 | 4.025695 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.167995 | 0.000000 | 0.000001 | 0.000002 | -0.000610 | 0.034370 | 0.281264 | 2.150012 | -0.765040 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.078112 | -0.000000 | -0.000001 | -0.000012 | 0.000328 | -0.008283 | 0.666624 | -1.022639 | -1.682102 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.033612 | 0.000000 | 0.000000 | 0.000003 | -0.000099 | 0.002336 | 0.278131 | -0.677440 | 1.523148 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
2.736500 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
0.724300 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.014500 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database