MOLPRO Basis Query, element=Nd, basis=ANO-RCC, l=p
Basis Nd p ANO-RCC
Primitives | Contractions... |
4275119.490000 | 0.000025 | -0.000012 | 0.000006 | -0.000002 | 0.000001 | -0.000002 | 0.000002 | -0.000004 | 0.000004 | -0.000002 | 0.000008 |
635349.261000 | 0.000091 | -0.000044 | 0.000021 | -0.000007 | 0.000003 | -0.000006 | 0.000008 | -0.000015 | 0.000015 | -0.000007 | 0.000029 |
133347.642000 | 0.000318 | -0.000155 | 0.000072 | -0.000026 | 0.000010 | -0.000023 | 0.000028 | -0.000052 | 0.000053 | -0.000022 | 0.000094 |
34508.669500 | 0.001100 | -0.000537 | 0.000250 | -0.000090 | 0.000036 | -0.000079 | 0.000095 | -0.000177 | 0.000190 | -0.000086 | 0.000377 |
10547.556400 | 0.003827 | -0.001876 | 0.000874 | -0.000314 | 0.000125 | -0.000278 | 0.000340 | -0.000648 | 0.000623 | -0.000241 | 0.001043 |
3705.315000 | 0.013087 | -0.006481 | 0.003027 | -0.001089 | 0.000433 | -0.000954 | 0.001145 | -0.002104 | 0.002369 | -0.001120 | 0.004964 |
1454.483500 | 0.042167 | -0.021208 | 0.009929 | -0.003571 | 0.001426 | -0.003169 | 0.003894 | -0.007492 | 0.006942 | -0.002532 | 0.010899 |
621.173957 | 0.118477 | -0.061672 | 0.029130 | -0.010499 | 0.004177 | -0.009189 | 0.010993 | -0.020061 | 0.023447 | -0.011509 | 0.051550 |
282.059831 | 0.261283 | -0.142766 | 0.068066 | -0.024572 | 0.009830 | -0.021917 | 0.027139 | -0.053051 | 0.046520 | -0.015319 | 0.065516 |
133.641942 | 0.386196 | -0.224030 | 0.108718 | -0.039398 | 0.015643 | -0.034200 | 0.040182 | -0.070613 | 0.096399 | -0.053924 | 0.244271 |
65.060899 | 0.291759 | -0.101612 | 0.038240 | -0.013011 | 0.005358 | -0.012839 | 0.018731 | -0.045863 | -0.012868 | 0.037975 | -0.202764 |
31.389084 | 0.074004 | 0.350098 | -0.242916 | 0.094292 | -0.038603 | 0.090232 | -0.121067 | 0.272046 | -0.153580 | -0.006161 | 0.011108 |
15.631642 | 0.000737 | 0.574829 | -0.449149 | 0.178542 | -0.071145 | 0.155082 | -0.175633 | 0.297842 | -0.669862 | 0.472276 | -2.281279 |
7.705889 | 0.001132 | 0.207147 | 0.101295 | -0.071280 | 0.029152 | -0.070501 | 0.080720 | -0.201837 | 1.108561 | -0.939608 | 6.067259 |
3.712399 | -0.000689 | 0.010288 | 0.707072 | -0.386058 | 0.167966 | -0.419867 | 0.621764 | -1.679964 | 0.663922 | 0.514563 | -7.662369 |
1.741079 | 0.000285 | 0.001782 | 0.359207 | -0.203775 | 0.083052 | -0.107859 | -0.190576 | 2.696899 | -3.073897 | 0.496142 | 6.391359 |
0.778912 | -0.000142 | -0.000650 | 0.021865 | 0.535365 | -0.323489 | 1.089987 | -1.274388 | -1.194413 | 3.906962 | -1.293237 | -4.092816 |
0.311565 | 0.000064 | 0.000304 | 0.004199 | 0.612335 | -0.308377 | -0.406428 | 1.501454 | -0.969991 | -3.545134 | 1.879547 | 2.452903 |
0.124626 | -0.000036 | -0.000155 | -0.001664 | 0.077375 | 0.334759 | -0.803657 | -0.130694 | 2.154341 | 2.711819 | -2.567399 | -1.645518 |
0.049850 | 0.000019 | 0.000086 | 0.000930 | 0.010131 | 0.666397 | 0.179683 | -1.203144 | -1.857949 | -1.269815 | 3.236187 | 1.098867 |
0.019940 | -0.000009 | -0.000041 | -0.000456 | -0.004367 | 0.169363 | 0.544606 | 0.864153 | 0.601280 | -0.195787 | -3.286800 | -0.643494 |
0.007976 | 0.000003 | 0.000013 | 0.000146 | 0.001538 | 0.050603 | 0.192822 | 0.294565 | 0.220625 | 0.592377 | 1.872301 | 0.242333 |
Comment: neodymium (25s,22p,15d,11f,4g,2h) -> [12s,11p,8d,7f,4g,2h] converted by Basis Set Exchange