MOLPRO Basis Query, element=Zr, basis=cc-pwCVTZ-DK, l=d
Basis Zr d cc-pwCVTZ-DK
Primitives | Contractions... |
1873.980000 | 0.000165 | -0.000036 | 0.000038 | -0.000051 | 0.000000 | 0.000000 | 0.000000 |
538.457000 | 0.001476 | -0.000320 | 0.000341 | -0.000456 | 0.000000 | 0.000000 | 0.000000 |
201.381000 | 0.008701 | -0.001889 | 0.002007 | -0.002710 | 0.000000 | 0.000000 | 0.000000 |
87.722800 | 0.034252 | -0.007486 | 0.007971 | -0.010701 | 0.000000 | 0.000000 | 0.000000 |
41.495100 | 0.100589 | -0.022155 | 0.023596 | -0.032045 | 0.000000 | 0.000000 | 0.000000 |
20.474600 | 0.218029 | -0.048383 | 0.051652 | -0.069464 | 0.000000 | 0.000000 | 0.000000 |
10.314700 | 0.325956 | -0.069825 | 0.073713 | -0.098073 | 0.000000 | 0.000000 | 0.000000 |
5.232370 | 0.334375 | -0.066284 | 0.068161 | -0.080063 | 0.000000 | 0.000000 | 0.000000 |
2.626560 | 0.195103 | 0.009345 | -0.022171 | 0.054869 | 0.000000 | 0.000000 | 0.000000 |
1.252140 | 0.045214 | 0.180033 | -0.224340 | 0.403339 | 0.000000 | 0.000000 | 0.000000 |
0.566569 | 0.001854 | 0.337551 | -0.406467 | 0.420799 | 0.000000 | 0.000000 | 0.000000 |
0.244751 | 0.000468 | 0.379713 | -0.123057 | -0.761303 | 0.000000 | 0.000000 | 0.000000 |
0.100793 | -0.000105 | 0.281647 | 0.540181 | -0.393652 | 0.000000 | 0.000000 | 0.000000 |
0.038721 | 0.000052 | 0.094501 | 0.463943 | 0.886256 | 1.000000 | 0.000000 | 0.000000 |
1.283600 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.613800 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: K. A. Peterson, D. Figgen, M. Dolg, and H. Stoll, J. Chem. Phys. 126, 124101 (2007)