MOLPRO Basis Query, element=Ni, basis=cc-pwCV5Z, l=s
Basis Ni s cc-pwCV5Z
Primitives | Contractions... |
168793000.000000 | 0.000000 | -0.000000 | 0.000000 | -0.000000 | -0.000000 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
30136900.000000 | 0.000001 | -0.000000 | 0.000000 | -0.000000 | -0.000000 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6730750.000000 | 0.000004 | -0.000001 | 0.000000 | -0.000000 | -0.000000 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1803370.000000 | 0.000017 | -0.000006 | 0.000002 | -0.000000 | -0.000001 | -0.000001 | 0.000002 | 0.000002 | 0.000000 | 0.000000 | 0.000000 |
559438.000000 | 0.000065 | -0.000023 | 0.000008 | -0.000002 | -0.000003 | -0.000005 | 0.000007 | 0.000008 | 0.000000 | 0.000000 | 0.000000 |
195064.000000 | 0.000220 | -0.000077 | 0.000026 | -0.000005 | -0.000010 | -0.000018 | 0.000023 | 0.000024 | 0.000000 | 0.000000 | 0.000000 |
74600.700000 | 0.000670 | -0.000235 | 0.000079 | -0.000016 | -0.000032 | -0.000057 | 0.000070 | 0.000081 | 0.000000 | 0.000000 | 0.000000 |
30681.700000 | 0.001885 | -0.000661 | 0.000223 | -0.000046 | -0.000088 | -0.000154 | 0.000199 | 0.000203 | 0.000000 | 0.000000 | 0.000000 |
13360.300000 | 0.004972 | -0.001750 | 0.000589 | -0.000123 | -0.000240 | -0.000427 | 0.000519 | 0.000616 | 0.000000 | 0.000000 | 0.000000 |
6086.160000 | 0.012396 | -0.004394 | 0.001483 | -0.000309 | -0.000583 | -0.001017 | 0.001331 | 0.001322 | 0.000000 | 0.000000 | 0.000000 |
2874.620000 | 0.029199 | -0.010500 | 0.003554 | -0.000741 | -0.001459 | -0.002596 | 0.003128 | 0.003807 | 0.000000 | 0.000000 | 0.000000 |
1398.720000 | 0.064173 | -0.023731 | 0.008100 | -0.001690 | -0.003169 | -0.005510 | 0.007307 | 0.007035 | 0.000000 | 0.000000 | 0.000000 |
697.981000 | 0.127807 | -0.049896 | 0.017240 | -0.003598 | -0.007147 | -0.012781 | 0.015198 | 0.019195 | 0.000000 | 0.000000 | 0.000000 |
356.110000 | 0.218385 | -0.094384 | 0.033489 | -0.007008 | -0.012993 | -0.022493 | 0.030677 | 0.027840 | 0.000000 | 0.000000 | 0.000000 |
185.346000 | 0.289763 | -0.151119 | 0.055860 | -0.011715 | -0.023849 | -0.043233 | 0.049668 | 0.069268 | 0.000000 | 0.000000 | 0.000000 |
98.222100 | 0.250201 | -0.175314 | 0.069425 | -0.014671 | -0.025663 | -0.043270 | 0.067160 | 0.043350 | 0.000000 | 0.000000 | 0.000000 |
52.883400 | 0.109125 | -0.078937 | 0.032798 | -0.006950 | -0.019532 | -0.040018 | 0.026751 | 0.100324 | 0.000000 | 0.000000 | 0.000000 |
28.842400 | 0.024181 | 0.186273 | -0.093647 | 0.020162 | 0.051375 | 0.101412 | -0.076903 | -0.228282 | 0.000000 | 0.000000 | 0.000000 |
15.866400 | 0.020171 | 0.471152 | -0.312733 | 0.070542 | 0.117971 | 0.199564 | -0.366050 | -0.178830 | 0.000000 | 0.000000 | 0.000000 |
8.749330 | 0.015845 | 0.394007 | -0.372610 | 0.087433 | 0.230518 | 0.533797 | -0.893066 | -2.163284 | 0.000000 | 0.000000 | 0.000000 |
4.794820 | 0.004574 | 0.112429 | -0.017651 | 0.000893 | -0.076022 | -0.284803 | 0.986836 | 4.676830 | 0.000000 | 0.000000 | 0.000000 |
2.581240 | 0.000537 | 0.013730 | 0.458076 | -0.128488 | -0.273642 | -1.008626 | 2.714004 | -0.508215 | 0.000000 | 0.000000 | 0.000000 |
1.344500 | 0.000329 | 0.005758 | 0.561662 | -0.199270 | -0.666822 | -0.858971 | -3.549184 | -6.163050 | 0.000000 | 0.000000 | 0.000000 |
0.672374 | 0.000106 | 0.002068 | 0.223931 | -0.168704 | 0.277960 | 2.257135 | -0.108209 | 6.755235 | 0.000000 | 0.000000 | 0.000000 |
0.224640 | 0.000012 | 0.000117 | 0.014142 | 0.096632 | 1.184811 | 0.315837 | 3.740358 | -4.177687 | 0.000000 | 0.000000 | 0.000000 |
0.120192 | -0.000005 | -0.000024 | -0.000440 | 0.409172 | 0.145309 | -1.893134 | -2.946991 | 0.631569 | 0.000000 | 0.000000 | 0.000000 |
0.058154 | 0.000003 | 0.000006 | 0.007002 | 0.486561 | -0.447521 | 0.138219 | -0.756477 | 2.658006 | 0.000000 | 0.000000 | 0.000000 |
0.027723 | -0.000000 | -0.000003 | 0.001820 | 0.164554 | -0.663903 | 0.913243 | 1.269206 | -1.699727 | 1.000000 | 0.000000 | 0.000000 |
8.268200 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
2.992500 | 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