MOLPRO Basis Query, element=Ir, basis=AVTZ-DK, l=s
Basis Ir s AVTZ-DK
Primitives | Contractions... |
32974650000.000000 | 0.000014 | -0.000007 | 0.000003 | -0.000002 | 0.000001 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
4675553000.000000 | 0.000037 | -0.000018 | 0.000007 | -0.000004 | 0.000001 | -0.000000 | -0.000001 | -0.000001 | 0.000000 | 0.000000 |
870208500.000000 | 0.000101 | -0.000049 | 0.000019 | -0.000012 | 0.000004 | -0.000001 | -0.000002 | -0.000003 | 0.000000 | 0.000000 |
201603200.000000 | 0.000229 | -0.000111 | 0.000044 | -0.000027 | 0.000009 | -0.000003 | -0.000005 | -0.000007 | 0.000000 | 0.000000 |
55561520.000000 | 0.000479 | -0.000232 | 0.000092 | -0.000056 | 0.000019 | -0.000006 | -0.000011 | -0.000015 | 0.000000 | 0.000000 |
17534310.000000 | 0.000924 | -0.000448 | 0.000178 | -0.000108 | 0.000037 | -0.000011 | -0.000020 | -0.000028 | 0.000000 | 0.000000 |
6139520.000000 | 0.001705 | -0.000827 | 0.000329 | -0.000199 | 0.000069 | -0.000020 | -0.000038 | -0.000052 | 0.000000 | 0.000000 |
2324907.000000 | 0.003041 | -0.001478 | 0.000588 | -0.000356 | 0.000123 | -0.000036 | -0.000068 | -0.000093 | 0.000000 | 0.000000 |
933126.400000 | 0.005335 | -0.002600 | 0.001037 | -0.000628 | 0.000216 | -0.000063 | -0.000119 | -0.000164 | 0.000000 | 0.000000 |
390898.200000 | 0.009275 | -0.004542 | 0.001816 | -0.001100 | 0.000378 | -0.000110 | -0.000210 | -0.000288 | 0.000000 | 0.000000 |
169016.300000 | 0.016112 | -0.007947 | 0.003191 | -0.001932 | 0.000665 | -0.000193 | -0.000366 | -0.000502 | 0.000000 | 0.000000 |
74861.910000 | 0.028046 | -0.013986 | 0.005656 | -0.003420 | 0.001177 | -0.000342 | -0.000653 | -0.000896 | 0.000000 | 0.000000 |
33814.280000 | 0.048937 | -0.024824 | 0.010144 | -0.006124 | 0.002109 | -0.000612 | -0.001155 | -0.001589 | 0.000000 | 0.000000 |
15543.290000 | 0.084866 | -0.044247 | 0.018380 | -0.011071 | 0.003810 | -0.001106 | -0.002127 | -0.002915 | 0.000000 | 0.000000 |
7269.193000 | 0.142822 | -0.077873 | 0.033204 | -0.019941 | 0.006874 | -0.001996 | -0.003739 | -0.005151 | 0.000000 | 0.000000 |
3462.329000 | 0.220082 | -0.129473 | 0.057564 | -0.034410 | 0.011854 | -0.003441 | -0.006695 | -0.009153 | 0.000000 | 0.000000 |
1682.339000 | 0.275716 | -0.183357 | 0.086829 | -0.051741 | 0.017913 | -0.005205 | -0.009539 | -0.013218 | 0.000000 | 0.000000 |
835.358400 | 0.226466 | -0.168141 | 0.084092 | -0.050006 | 0.017244 | -0.005007 | -0.010435 | -0.014054 | 0.000000 | 0.000000 |
424.393400 | 0.094015 | 0.029922 | -0.042429 | 0.026143 | -0.009231 | 0.002687 | 0.007327 | 0.009370 | 0.000000 | 0.000000 |
220.615200 | 0.037646 | 0.370580 | -0.357492 | 0.234942 | -0.086047 | 0.025133 | 0.042789 | 0.061023 | 0.000000 | 0.000000 |
117.155900 | 0.031236 | 0.436458 | -0.553608 | 0.397036 | -0.148277 | 0.043408 | 0.094714 | 0.127141 | 0.000000 | 0.000000 |
63.305790 | 0.015269 | 0.176636 | -0.102596 | 0.065084 | -0.026929 | 0.007940 | -0.009744 | -0.005502 | 0.000000 | 0.000000 |
34.570300 | 0.026048 | 0.083570 | 0.632744 | -0.847329 | 0.399167 | -0.119713 | -0.183840 | -0.281670 | 0.000000 | 0.000000 |
18.882380 | 0.017936 | 0.051284 | 0.459829 | -0.815340 | 0.397299 | -0.119974 | -0.319120 | -0.416531 | 0.000000 | 0.000000 |
10.168200 | 0.003934 | 0.010062 | 0.135295 | 0.496345 | -0.347474 | 0.108953 | 0.365553 | 0.496890 | 0.000000 | 0.000000 |
5.296320 | 0.002033 | 0.004819 | 0.107978 | 0.905771 | -0.934800 | 0.319303 | 0.417826 | 0.767837 | 0.000000 | 0.000000 |
2.604157 | 0.000373 | 0.000805 | 0.019958 | 0.188475 | -0.137063 | 0.044604 | 0.570067 | 0.723665 | 0.000000 | 0.000000 |
1.371401 | -0.000007 | 0.000018 | -0.000191 | -0.004044 | 0.881497 | -0.420167 | -2.047372 | -4.689722 | 0.000000 | 0.000000 |
0.643166 | -0.000005 | -0.000020 | -0.000195 | 0.003463 | 0.538671 | -0.372975 | 0.493264 | 4.884083 | 0.000000 | 0.000000 |
0.199027 | 0.000000 | 0.000004 | 0.000021 | -0.000564 | 0.037452 | 0.256829 | 2.031298 | -1.970450 | 0.000000 | 0.000000 |
0.090261 | -0.000000 | -0.000003 | -0.000020 | 0.000331 | -0.007234 | 0.660601 | -1.107965 | -0.601129 | 0.000000 | 0.000000 |
0.038152 | 0.000000 | 0.000001 | 0.000005 | -0.000097 | 0.002636 | 0.306991 | -0.527373 | 1.158836 | 1.000000 | 0.000000 |
0.016100 | 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