MOLPRO Basis Query, element=Ni, basis=aug-cc-pwCV5Z-DK, l=p
Basis Ni p aug-cc-pwCV5Z-DK
Primitives | Contractions... |
104158.000000 | 0.000024 | -0.000008 | 0.000002 | 0.000004 | 0.000006 | 0.000008 | 0.000011 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
25289.100000 | 0.000071 | -0.000025 | 0.000005 | 0.000011 | 0.000019 | 0.000025 | 0.000036 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
7974.060000 | 0.000270 | -0.000096 | 0.000020 | 0.000041 | 0.000074 | 0.000088 | 0.000121 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3013.010000 | 0.000900 | -0.000322 | 0.000065 | 0.000134 | 0.000234 | 0.000332 | 0.000481 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1286.410000 | 0.002955 | -0.001061 | 0.000217 | 0.000458 | 0.000829 | 0.000937 | 0.001274 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
595.855000 | 0.008979 | -0.003242 | 0.000653 | 0.001337 | 0.002339 | 0.003410 | 0.004979 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
291.656000 | 0.025173 | -0.009187 | 0.001882 | 0.003989 | 0.007232 | 0.008048 | 0.010972 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
148.544000 | 0.063087 | -0.023494 | 0.004743 | 0.009687 | 0.016939 | 0.025112 | 0.037184 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
78.073700 | 0.135093 | -0.051881 | 0.010690 | 0.022742 | 0.041452 | 0.044818 | 0.061399 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
42.147800 | 0.232084 | -0.092570 | 0.018708 | 0.037879 | 0.065539 | 0.103880 | 0.159111 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
23.259900 | 0.304865 | -0.127925 | 0.026893 | 0.058891 | 0.111198 | 0.102804 | 0.137473 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
13.012100 | 0.268981 | -0.107191 | 0.020970 | 0.040466 | 0.075109 | 0.239615 | 0.536801 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
7.263990 | 0.127341 | 0.045088 | -0.010427 | -0.014388 | -0.019002 | -0.293693 | -1.448475 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.973570 | 0.022649 | 0.275310 | -0.069682 | -0.178877 | -0.484759 | -0.858275 | -0.921580 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2.121560 | -0.001496 | 0.400679 | -0.095595 | -0.202678 | -0.409031 | -0.175430 | 3.222513 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.105150 | -0.002313 | 0.312111 | -0.097765 | -0.155110 | 0.261581 | 2.121247 | -1.625321 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.549950 | -0.000925 | 0.116503 | 0.038947 | 0.287876 | 1.059332 | -1.187564 | -0.954634 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.210976 | -0.000059 | 0.010950 | 0.345255 | 0.631460 | -0.314164 | -0.801870 | 1.750280 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.084680 | 0.000002 | -0.000456 | 0.526536 | 0.262086 | -0.628969 | 1.000681 | -1.032502 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.033825 | -0.000001 | 0.000285 | 0.243473 | 0.008183 | 0.004045 | -0.015551 | -0.014295 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
12.487600 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
4.056000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.013510 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database