MOLPRO Basis Query, element=Zr, basis=ANO-RCC, l=d
Basis Zr d ANO-RCC
Primitives | Contractions... |
670.988269 | 0.001027 | -0.000247 | 0.000344 | -0.000434 | 0.000743 | -0.000420 | 0.000784 | -0.000054 |
282.642910 | 0.003782 | -0.000846 | 0.000819 | -0.000074 | -0.000553 | -0.002829 | -0.009511 | 0.012110 |
122.362042 | 0.021645 | -0.005186 | 0.006940 | -0.007960 | 0.013023 | -0.009738 | 0.007172 | 0.009256 |
52.401046 | 0.080592 | -0.018656 | 0.020326 | -0.010253 | 0.007438 | -0.053538 | -0.128554 | 0.190284 |
23.832408 | 0.211507 | -0.051471 | 0.068205 | -0.077389 | 0.129699 | -0.111710 | 0.023624 | 0.134533 |
10.906343 | 0.369977 | -0.083145 | 0.089046 | -0.049400 | 0.038788 | -0.282475 | -0.780284 | 0.927081 |
4.951278 | 0.381048 | -0.085877 | 0.153998 | -0.310646 | 0.566101 | -0.038155 | 1.429560 | -2.323674 |
2.214532 | 0.176981 | 0.071282 | -0.165567 | 0.444285 | -1.415593 | 1.265597 | -0.916145 | 2.172836 |
0.848792 | 0.020470 | 0.345364 | -0.629854 | 0.706704 | 0.851136 | -1.962156 | 0.172981 | -1.635174 |
0.339517 | -0.001542 | 0.433755 | -0.036991 | -1.152754 | 0.454480 | 2.078187 | 0.421482 | 1.492357 |
0.135807 | 0.000894 | 0.317533 | 0.522161 | 0.094629 | -1.292808 | -1.620565 | -1.094302 | -1.425100 |
0.054323 | -0.000378 | 0.092772 | 0.367947 | 0.640959 | 0.907741 | 0.600047 | 1.651198 | 1.304644 |
0.021729 | 0.000130 | 0.003873 | 0.028372 | 0.054303 | 0.076962 | 0.280774 | -1.365395 | -0.825209 |
Comment: zirconium (21s,18p,13d,6f,4g,2h) -> [10s,9p,8d,5f,4g,2h] converted by Basis Set Exchange