MOLPRO Basis Query, element=Zr, basis=cc-pwCVTZ-DK, l=p
Basis Zr p cc-pwCVTZ-DK
Primitives | Contractions... |
1026890.000000 | 0.000014 | -0.000006 | 0.000002 | -0.000001 | -0.000001 | -0.000001 | 0.000000 | 0.000000 | 0.000000 |
166325.000000 | 0.000054 | -0.000022 | 0.000008 | -0.000002 | -0.000003 | -0.000005 | 0.000000 | 0.000000 | 0.000000 |
37381.900000 | 0.000211 | -0.000086 | 0.000030 | -0.000008 | -0.000012 | -0.000020 | 0.000000 | 0.000000 | 0.000000 |
10771.600000 | 0.000782 | -0.000320 | 0.000113 | -0.000031 | -0.000044 | -0.000073 | 0.000000 | 0.000000 | 0.000000 |
3733.590000 | 0.002824 | -0.001159 | 0.000408 | -0.000112 | -0.000158 | -0.000275 | 0.000000 | 0.000000 | 0.000000 |
1480.440000 | 0.009644 | -0.003983 | 0.001403 | -0.000385 | -0.000544 | -0.000903 | 0.000000 | 0.000000 | 0.000000 |
646.167000 | 0.029927 | -0.012532 | 0.004424 | -0.001216 | -0.001717 | -0.003005 | 0.000000 | 0.000000 | 0.000000 |
301.682000 | 0.081593 | -0.035053 | 0.012407 | -0.003403 | -0.004812 | -0.007931 | 0.000000 | 0.000000 | 0.000000 |
147.591000 | 0.182789 | -0.081823 | 0.029118 | -0.008015 | -0.011309 | -0.019989 | 0.000000 | 0.000000 | 0.000000 |
74.580000 | 0.310863 | -0.146917 | 0.052635 | -0.014445 | -0.020439 | -0.032984 | 0.000000 | 0.000000 | 0.000000 |
38.538500 | 0.344915 | -0.166530 | 0.059929 | -0.016575 | -0.023342 | -0.044429 | 0.000000 | 0.000000 | 0.000000 |
20.213300 | 0.191291 | -0.001958 | -0.006529 | 0.002216 | 0.002934 | 0.015206 | 0.000000 | 0.000000 | 0.000000 |
10.688700 | 0.035831 | 0.302247 | -0.133885 | 0.037323 | 0.053002 | 0.072159 | 0.000000 | 0.000000 | 0.000000 |
5.653870 | -0.005564 | 0.480082 | -0.238441 | 0.069039 | 0.096935 | 0.210856 | 0.000000 | 0.000000 | 0.000000 |
2.959510 | -0.004994 | 0.289523 | -0.140939 | 0.037825 | 0.055300 | 0.028935 | 0.000000 | 0.000000 | 0.000000 |
1.509350 | -0.000789 | 0.046062 | 0.267043 | -0.087726 | -0.126311 | -0.130064 | 0.000000 | 0.000000 | 0.000000 |
0.742671 | 0.000032 | -0.001009 | 0.526404 | -0.203156 | -0.288308 | -1.052978 | 0.000000 | 0.000000 | 0.000000 |
0.356106 | 0.000084 | -0.002648 | 0.350040 | -0.141120 | -0.212720 | 0.840911 | 0.000000 | 0.000000 | 0.000000 |
0.143203 | 0.000005 | -0.000270 | 0.060795 | 0.262372 | 0.561771 | 1.112199 | 0.000000 | 0.000000 | 0.000000 |
0.061366 | 0.000003 | -0.000055 | -0.003512 | 0.603161 | 0.590719 | -1.157655 | 0.000000 | 0.000000 | 0.000000 |
0.025380 | -0.000001 | 0.000012 | 0.001743 | 0.299544 | 0.040649 | -0.122247 | 1.000000 | 0.000000 | 0.000000 |
2.245400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.661600 | 0.000000 | 0.000000 | 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)