MOLPRO Basis Query, element=Ir, basis=ANO-RCC, l=d
Basis Ir d ANO-RCC
Primitives | Contractions... |
6702.009160 | 0.000446 | -0.000229 | 0.000065 | -0.000069 | 0.000094 | -0.000146 | 0.000178 | -0.000082 |
2792.839830 | 0.001360 | -0.000690 | 0.000190 | -0.000195 | 0.000189 | -0.000115 | 0.000432 | -0.002423 |
1201.010730 | 0.007026 | -0.003635 | 0.001032 | -0.001100 | 0.001491 | -0.002311 | 0.002827 | -0.001443 |
529.911917 | 0.029423 | -0.015194 | 0.004241 | -0.004399 | 0.004829 | -0.004804 | 0.010341 | -0.038924 |
241.739109 | 0.102464 | -0.054287 | 0.015425 | -0.016351 | 0.021239 | -0.030738 | 0.041288 | -0.049047 |
114.670383 | 0.255084 | -0.135760 | 0.038096 | -0.039582 | 0.043859 | -0.044991 | 0.094927 | -0.346115 |
56.025700 | 0.401149 | -0.206840 | 0.058841 | -0.062831 | 0.087453 | -0.140427 | 0.160920 | 0.019011 |
27.995504 | 0.322091 | -0.062961 | 0.009003 | -0.006700 | -0.014366 | 0.085691 | -0.056679 | -0.388953 |
13.735657 | 0.095168 | 0.345518 | -0.118680 | 0.126167 | -0.115092 | 0.039528 | -0.382768 | 2.583912 |
6.630484 | 0.005093 | 0.522903 | -0.185544 | 0.208903 | -0.379774 | 0.791562 | -0.554799 | -3.908002 |
3.121277 | 0.001111 | 0.249879 | 0.027644 | -0.065224 | 0.359635 | -1.350455 | 2.053093 | 3.027174 |
1.278968 | -0.000280 | 0.026512 | 0.408750 | -0.642157 | 0.773993 | 0.372941 | -2.510234 | -1.723325 |
0.511589 | 0.000135 | -0.000773 | 0.464800 | -0.046438 | -0.989039 | 1.025129 | 2.278658 | 1.026234 |
0.204635 | -0.000074 | 0.000724 | 0.253164 | 0.546414 | -0.188559 | -1.680253 | -1.664164 | -0.578550 |
0.081854 | 0.000022 | -0.000145 | 0.076719 | 0.421297 | 0.826081 | 1.087326 | 0.750321 | 0.222521 |
Comment: iridium (24s,21p,15d,11f,4g,2h) -> [11s,10p,8d,6f,4g,2h] converted by Basis Set Exchange