MOLPRO Basis Query, element=Cu, basis=CVQZ-PP-F12, l=d
Basis Cu d CVQZ-PP-F12
Primitives | Contractions... |
573.295000 | 0.000112 | -0.000155 | 0.000170 | -0.000284 | -0.000573 | 0.000000 | 0.000000 | 0.000000 |
173.771000 | 0.001178 | -0.001530 | 0.001752 | -0.002567 | -0.002388 | 0.000000 | 0.000000 | 0.000000 |
68.386800 | 0.008099 | -0.010889 | 0.012309 | -0.019195 | -0.028130 | 0.000000 | 0.000000 | 0.000000 |
31.975900 | 0.032069 | -0.042781 | 0.049182 | -0.075520 | -0.088725 | 0.000000 | 0.000000 | 0.000000 |
15.441800 | 0.084304 | -0.117328 | 0.140306 | -0.239608 | -0.407504 | 0.000000 | 0.000000 | 0.000000 |
7.784970 | 0.167902 | -0.235274 | 0.289963 | -0.476109 | -0.453010 | 0.000000 | 0.000000 | 0.000000 |
3.974590 | 0.245275 | -0.290186 | 0.218838 | 0.177863 | 1.340021 | 0.000000 | 0.000000 | 0.000000 |
2.011830 | 0.276679 | -0.121372 | -0.277596 | 0.928912 | -0.107590 | 0.000000 | 0.000000 | 0.000000 |
0.996673 | 0.255087 | 0.207774 | -0.563726 | -0.227401 | -1.449573 | 0.000000 | 0.000000 | 0.000000 |
0.478383 | 0.193724 | 0.398096 | -0.054754 | -0.886509 | 1.134868 | 0.000000 | 0.000000 | 0.000000 |
0.219149 | 0.108839 | 0.317421 | 0.558122 | 0.342327 | 0.242539 | 0.000000 | 0.000000 | 0.000000 |
0.092612 | 0.029078 | 0.103354 | 0.328044 | 0.467878 | -0.687854 | 1.000000 | 0.000000 | 0.000000 |
0.039100 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
6.702540 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and R.A. Shaw, JCP 155 174113 (2021)