MOLPRO Basis Query, element=I, basis=cc-pwCVQZ-DK, l=p
Basis I p cc-pwCVQZ-DK
Primitives | Contractions... |
9735535.000000 | 0.000008 | -0.000004 | 0.000002 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1548022.000000 | 0.000025 | -0.000012 | 0.000005 | 0.000002 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
326061.300000 | 0.000082 | -0.000038 | 0.000017 | 0.000005 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
85871.940000 | 0.000248 | -0.000117 | 0.000051 | 0.000015 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
26965.530000 | 0.000747 | -0.000352 | 0.000154 | 0.000045 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
9716.106000 | 0.002248 | -0.001064 | 0.000466 | 0.000137 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3896.367000 | 0.006757 | -0.003215 | 0.001408 | 0.000415 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1698.253000 | 0.019689 | -0.009482 | 0.004165 | 0.001230 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
790.016200 | 0.053245 | -0.026097 | 0.011496 | 0.003395 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
386.898400 | 0.125515 | -0.063728 | 0.028298 | 0.008369 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
197.394200 | 0.238062 | -0.126248 | 0.056520 | 0.016734 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
104.041100 | 0.329456 | -0.184857 | 0.084058 | 0.024967 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
56.229790 | 0.278982 | -0.128783 | 0.054303 | 0.015867 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
30.922210 | 0.117310 | 0.116515 | -0.078332 | -0.024567 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.145810 | 0.018827 | 0.425979 | -0.278400 | -0.088297 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
9.474403 | 0.000896 | 0.437685 | -0.318738 | -0.101762 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
5.137487 | 0.000036 | 0.148895 | 0.121313 | -0.114554 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2.678695 | -0.000135 | 0.014140 | 0.562753 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.375866 | -0.000008 | 0.000717 | 0.435931 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
0.662632 | -0.000015 | 0.000151 | 0.086289 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.315989 | 0.000006 | -0.000081 | 0.001932 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
0.141375 | -0.000001 | 0.000003 | 0.001920 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.060721 | 0.000001 | -0.000010 | -0.000013 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: D.H. Bross and K.A. Peterson, Theor. Chem. Acc. 133, 1434(2013)