MOLPRO Basis Query, element=Ni, basis=WCV5Z-DK, l=s
Basis Ni s WCV5Z-DK
Primitives | Contractions... |
168793000.000000 | 0.000011 | -0.000005 | 0.000001 | -0.000000 | -0.000001 | -0.000001 | 0.000001 | 0.000001 | 0.000000 | 0.000000 | 0.000000 |
30136900.000000 | 0.000027 | -0.000012 | 0.000003 | -0.000001 | -0.000001 | -0.000002 | 0.000003 | 0.000003 | 0.000000 | 0.000000 | 0.000000 |
6730750.000000 | 0.000076 | -0.000034 | 0.000009 | -0.000002 | -0.000004 | -0.000007 | 0.000008 | 0.000009 | 0.000000 | 0.000000 | 0.000000 |
1803370.000000 | 0.000177 | -0.000080 | 0.000021 | -0.000004 | -0.000009 | -0.000015 | 0.000019 | 0.000021 | 0.000000 | 0.000000 | 0.000000 |
559438.000000 | 0.000393 | -0.000178 | 0.000047 | -0.000010 | -0.000020 | -0.000034 | 0.000043 | 0.000047 | 0.000000 | 0.000000 | 0.000000 |
195064.000000 | 0.000825 | -0.000374 | 0.000099 | -0.000021 | -0.000043 | -0.000072 | 0.000091 | 0.000097 | 0.000000 | 0.000000 | 0.000000 |
74600.700000 | 0.001701 | -0.000773 | 0.000204 | -0.000043 | -0.000089 | -0.000150 | 0.000187 | 0.000207 | 0.000000 | 0.000000 | 0.000000 |
30681.700000 | 0.003495 | -0.001592 | 0.000422 | -0.000089 | -0.000181 | -0.000303 | 0.000388 | 0.000406 | 0.000000 | 0.000000 | 0.000000 |
13360.300000 | 0.007273 | -0.003328 | 0.000883 | -0.000187 | -0.000387 | -0.000653 | 0.000804 | 0.000919 | 0.000000 | 0.000000 | 0.000000 |
6086.160000 | 0.015351 | -0.007075 | 0.001886 | -0.000400 | -0.000803 | -0.001341 | 0.001745 | 0.001758 | 0.000000 | 0.000000 | 0.000000 |
2874.620000 | 0.032491 | -0.015172 | 0.004068 | -0.000862 | -0.001798 | -0.003045 | 0.003693 | 0.004381 | 0.000000 | 0.000000 | 0.000000 |
1398.720000 | 0.066850 | -0.031976 | 0.008692 | -0.001842 | -0.003669 | -0.006111 | 0.008100 | 0.007829 | 0.000000 | 0.000000 | 0.000000 |
697.981000 | 0.127610 | -0.063917 | 0.017753 | -0.003767 | -0.007937 | -0.013502 | 0.016102 | 0.019986 | 0.000000 | 0.000000 | 0.000000 |
356.110000 | 0.211416 | -0.115523 | 0.033488 | -0.007107 | -0.013967 | -0.023187 | 0.031710 | 0.028698 | 0.000000 | 0.000000 | 0.000000 |
185.346000 | 0.272857 | -0.175685 | 0.054459 | -0.011599 | -0.025113 | -0.043225 | 0.049557 | 0.068465 | 0.000000 | 0.000000 | 0.000000 |
98.222100 | 0.228679 | -0.191018 | 0.065480 | -0.013971 | -0.025666 | -0.041710 | 0.065681 | 0.041308 | 0.000000 | 0.000000 | 0.000000 |
52.883400 | 0.099420 | -0.076484 | 0.026624 | -0.005774 | -0.018521 | -0.035570 | 0.020185 | 0.091580 | 0.000000 | 0.000000 | 0.000000 |
28.842400 | 0.040313 | 0.198212 | -0.099165 | 0.021713 | 0.058170 | 0.106622 | -0.082818 | -0.233370 | 0.000000 | 0.000000 | 0.000000 |
15.866400 | 0.059270 | 0.474030 | -0.312148 | 0.070302 | 0.123691 | 0.204761 | -0.378636 | -0.209215 | 0.000000 | 0.000000 | 0.000000 |
8.749330 | 0.047126 | 0.384773 | -0.359069 | 0.084625 | 0.239863 | 0.523875 | -0.869104 | -2.047224 | 0.000000 | 0.000000 | 0.000000 |
4.794820 | 0.012885 | 0.104600 | 0.002604 | -0.005048 | -0.097256 | -0.312428 | 1.044074 | 4.703249 | 0.000000 | 0.000000 | 0.000000 |
2.581240 | 0.000832 | 0.006103 | 0.471187 | -0.129690 | -0.295925 | -1.056374 | 2.735146 | -0.802346 | 0.000000 | 0.000000 | 0.000000 |
1.344500 | -0.000076 | -0.002299 | 0.552750 | -0.201296 | -0.695926 | -0.733353 | -3.849735 | -5.914156 | 0.000000 | 0.000000 | 0.000000 |
0.672374 | -0.000069 | -0.001081 | 0.213553 | -0.158279 | 0.366548 | 2.273606 | 0.223601 | 6.795674 | 0.000000 | 0.000000 | 0.000000 |
0.224640 | 0.000000 | -0.000075 | 0.013625 | 0.116320 | 1.221342 | 0.129337 | 3.662486 | -4.584359 | 0.000000 | 0.000000 | 0.000000 |
0.120192 | -0.000000 | 0.000040 | -0.003081 | 0.412456 | 0.047303 | -1.837990 | -3.132230 | 1.164527 | 0.000000 | 0.000000 | 0.000000 |
0.058154 | 0.000001 | -0.000013 | 0.002928 | 0.480705 | -0.482036 | 0.246770 | -0.531280 | 2.385529 | 0.000000 | 0.000000 | 0.000000 |
0.027723 | 0.000000 | 0.000005 | 0.000043 | 0.150078 | -0.601242 | 0.868400 | 1.199602 | -1.651906 | 1.000000 | 0.000000 | 0.000000 |
8.213800 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
2.948600 | 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