MOLPRO Basis Query, element=Th, basis=ANO-RCC, l=d
Basis Th d ANO-RCC
Primitives | Contractions... |
13151.379800 | 0.000336 | -0.000186 | 0.000081 | -0.000023 | 0.000038 | -0.000036 | 0.000034 | -0.000013 | 0.000055 | -0.000284 |
5538.425560 | 0.000877 | -0.000488 | 0.000208 | -0.000058 | 0.000093 | -0.000103 | 0.000186 | -0.000081 | 0.000234 | 0.000394 |
2391.362280 | 0.004256 | -0.002376 | 0.001032 | -0.000291 | 0.000485 | -0.000458 | 0.000403 | -0.000155 | 0.000674 | -0.003939 |
1061.940770 | 0.017293 | -0.009723 | 0.004175 | -0.001168 | 0.001903 | -0.002007 | 0.003122 | -0.001328 | 0.004111 | 0.000937 |
482.804648 | 0.063860 | -0.036405 | 0.015843 | -0.004460 | 0.007396 | -0.007167 | 0.007510 | -0.002997 | 0.011566 | -0.045271 |
228.096808 | 0.181165 | -0.105166 | 0.045533 | -0.012763 | 0.020840 | -0.021753 | 0.032545 | -0.013779 | 0.043532 | -0.008561 |
111.376336 | 0.351176 | -0.201989 | 0.088292 | -0.024887 | 0.041479 | -0.039821 | 0.038705 | -0.015251 | 0.063407 | -0.310323 |
55.937697 | 0.386815 | -0.175340 | 0.068483 | -0.018761 | 0.030082 | -0.036059 | 0.078224 | -0.034661 | 0.099600 | 0.243000 |
28.397988 | 0.184748 | 0.174218 | -0.109351 | 0.031860 | -0.050134 | 0.062053 | -0.151081 | 0.067638 | -0.179155 | -0.629909 |
14.255509 | 0.026314 | 0.524707 | -0.306754 | 0.090568 | -0.158191 | 0.142395 | -0.053867 | 0.016181 | -0.217332 | 2.947582 |
7.157716 | 0.000852 | 0.377246 | -0.111890 | 0.025235 | -0.033391 | 0.081881 | -0.372181 | 0.168704 | -0.329649 | -4.832352 |
3.366514 | -0.000018 | 0.070075 | 0.459153 | -0.163159 | 0.282083 | -0.437620 | 1.311722 | -0.621877 | 2.169936 | 4.337760 |
1.572143 | 0.000035 | -0.001800 | 0.551339 | -0.202832 | 0.433731 | -0.306561 | -1.094546 | 0.668776 | -3.236823 | -2.744855 |
0.681378 | -0.000017 | 0.001095 | 0.157450 | 0.158430 | -0.827477 | 1.371063 | -0.254692 | -0.211759 | 2.858729 | 1.403087 |
0.269219 | 0.000011 | -0.000548 | 0.001058 | 0.515107 | -0.385945 | -1.123744 | 1.418278 | -0.350754 | -2.252402 | -0.738264 |
0.107688 | -0.000005 | 0.000267 | 0.002313 | 0.438333 | 0.643646 | -0.171977 | -1.799384 | 0.969185 | 1.794108 | 0.434752 |
0.043075 | 0.000003 | -0.000129 | -0.001146 | 0.100461 | 0.313482 | 0.905944 | 1.104283 | -1.632063 | -1.183925 | -0.231445 |
0.017230 | -0.000001 | 0.000043 | 0.000391 | 0.006161 | -0.008590 | -0.098672 | 0.082739 | 1.559787 | 0.445650 | 0.077938 |
Comment: thorium (27s,24p,18d,14f,6g,3h) -> [13s,11p,10d,8f,6g,3h] converted by Basis Set Exchange
|