MOLPRO Basis Query, element=Gd, basis=cc-pwCVQZ-X2C, l=f
Basis Gd f cc-pwCVQZ-X2C
Primitives | Contractions... |
568.799800 | 0.000232 | -0.000236 | 0.000262 | -0.000407 | -0.000519 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
195.613700 | 0.002128 | -0.002212 | 0.002510 | -0.002873 | -0.003039 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
84.208710 | 0.011289 | -0.011577 | 0.012967 | -0.018930 | -0.023529 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
40.745210 | 0.038120 | -0.039742 | 0.045006 | -0.052075 | -0.057811 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
20.914980 | 0.094903 | -0.097861 | 0.110751 | -0.167245 | -0.207521 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.155410 | 0.182272 | -0.188713 | 0.206182 | -0.222852 | -0.218622 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
5.963908 | 0.263879 | -0.230699 | 0.179778 | -0.253535 | -0.199280 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.124400 | 0.300100 | -0.171625 | 0.028057 | 0.528011 | 1.313440 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.583183 | 0.264102 | 0.146486 | -0.597002 | 0.600685 | -0.990442 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.765105 | 0.176734 | 0.435015 | -0.232325 | -0.943130 | -0.409689 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.347670 | 0.079758 | 0.353320 | 0.491215 | -0.086626 | 1.175760 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.147138 | 0.016921 | 0.153282 | 0.419436 | 0.601682 | -0.690286 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.053545 | 0.000741 | 0.015082 | 0.061850 | 0.132007 | -0.250972 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
6.535968 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
3.653029 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Q. Lu and K.A. Peterson, J. Chem. Phys. 145, 054111 (2016)
|