MOLPRO Basis Query, element=Nb, basis=aug-cc-pwCVTZ-DK, l=p
Basis Nb p aug-cc-pwCVTZ-DK
Primitives | Contractions... |
1081950.000000 | 0.000015 | -0.000006 | 0.000002 | -0.000001 | -0.000001 | -0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
178505.000000 | 0.000055 | -0.000023 | 0.000008 | -0.000002 | -0.000003 | -0.000005 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
40400.200000 | 0.000213 | -0.000088 | 0.000032 | -0.000009 | -0.000013 | -0.000021 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11646.100000 | 0.000781 | -0.000323 | 0.000117 | -0.000032 | -0.000047 | -0.000077 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
4025.950000 | 0.002798 | -0.001161 | 0.000421 | -0.000116 | -0.000171 | -0.000286 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1590.760000 | 0.009520 | -0.003979 | 0.001444 | -0.000398 | -0.000583 | -0.000939 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
692.170000 | 0.029535 | -0.012514 | 0.004551 | -0.001259 | -0.001848 | -0.003105 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
322.450000 | 0.080656 | -0.035062 | 0.012782 | -0.003526 | -0.005164 | -0.008269 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
157.539000 | 0.181298 | -0.082097 | 0.030106 | -0.008340 | -0.012245 | -0.020751 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.540600 | 0.309878 | -0.148212 | 0.054722 | -0.015102 | -0.022106 | -0.034816 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
41.071200 | 0.346041 | -0.169029 | 0.062729 | -0.017476 | -0.025735 | -0.046325 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
21.521800 | 0.193350 | -0.003533 | -0.006518 | 0.002318 | 0.003594 | 0.014771 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.369500 | 0.036485 | 0.306750 | -0.141203 | 0.039664 | 0.057634 | 0.080341 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.012240 | -0.005349 | 0.484886 | -0.252405 | 0.074017 | 0.109699 | 0.220927 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.153330 | -0.004707 | 0.282778 | -0.135760 | 0.035980 | 0.052088 | 0.033443 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.619340 | -0.000706 | 0.042869 | 0.292275 | -0.097795 | -0.141892 | -0.200293 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.801164 | 0.000012 | -0.000437 | 0.529634 | -0.212708 | -0.329849 | -1.034695 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.384950 | 0.000072 | -0.002268 | 0.331477 | -0.120414 | -0.156854 | 0.998738 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.153489 | 0.000001 | -0.000141 | 0.054213 | 0.291743 | 0.629206 | 0.932277 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.065472 | 0.000003 | -0.000070 | -0.003456 | 0.591214 | 0.519861 | -1.149627 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.027096 | -0.000001 | 0.000018 | 0.001573 | 0.281553 | 0.029343 | -0.091952 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
2.494000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
0.729300 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011200 | 0.000000 | 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)