MOLPRO Basis Query, element=Ni, basis=cc-pwCVQZ-DK, l=s
Basis Ni s cc-pwCVQZ-DK
Primitives | Contractions... |
15503020.000000 | 0.000068 | -0.000031 | 0.000008 | -0.000002 | -0.000004 | -0.000006 | -0.000007 | 0.000000 | 0.000000 | 0.000000 |
2321071.000000 | 0.000192 | -0.000087 | 0.000023 | -0.000005 | -0.000010 | -0.000017 | -0.000019 | 0.000000 | 0.000000 | 0.000000 |
528180.200000 | 0.000503 | -0.000228 | 0.000060 | -0.000013 | -0.000026 | -0.000045 | -0.000050 | 0.000000 | 0.000000 | 0.000000 |
149604.000000 | 0.001208 | -0.000549 | 0.000145 | -0.000031 | -0.000063 | -0.000108 | -0.000117 | 0.000000 | 0.000000 | 0.000000 |
48809.070000 | 0.002849 | -0.001297 | 0.000343 | -0.000073 | -0.000146 | -0.000253 | -0.000294 | 0.000000 | 0.000000 | 0.000000 |
17622.390000 | 0.006715 | -0.003072 | 0.000814 | -0.000173 | -0.000359 | -0.000614 | -0.000629 | 0.000000 | 0.000000 | 0.000000 |
6874.201000 | 0.016026 | -0.007379 | 0.001960 | -0.000415 | -0.000824 | -0.001433 | -0.001769 | 0.000000 | 0.000000 | 0.000000 |
2851.857000 | 0.038045 | -0.017805 | 0.004779 | -0.001013 | -0.002147 | -0.003647 | -0.003453 | 0.000000 | 0.000000 | 0.000000 |
1244.334000 | 0.086016 | -0.041384 | 0.011241 | -0.002381 | -0.004630 | -0.008126 | -0.010811 | 0.000000 | 0.000000 | 0.000000 |
566.154700 | 0.172473 | -0.088477 | 0.024880 | -0.005286 | -0.011466 | -0.019336 | -0.016397 | 0.000000 | 0.000000 | 0.000000 |
266.787300 | 0.277147 | -0.160533 | 0.047522 | -0.010082 | -0.018885 | -0.033778 | -0.051132 | 0.000000 | 0.000000 | 0.000000 |
129.375200 | 0.296878 | -0.221145 | 0.072708 | -0.015555 | -0.036091 | -0.059733 | -0.034773 | 0.000000 | 0.000000 | 0.000000 |
63.651610 | 0.160722 | -0.142930 | 0.050487 | -0.010728 | -0.013193 | -0.029195 | -0.102009 | 0.000000 | 0.000000 | 0.000000 |
29.333020 | 0.053209 | 0.210509 | -0.104910 | 0.022587 | 0.024935 | 0.057672 | 0.224813 | 0.000000 | 0.000000 | 0.000000 |
14.822120 | 0.067078 | 0.557178 | -0.384158 | 0.087823 | 0.235151 | 0.396298 | 0.166629 | 0.000000 | 0.000000 | 0.000000 |
7.460513 | 0.045104 | 0.358747 | -0.340510 | 0.078750 | 0.099559 | 0.326282 | 1.150408 | 0.000000 | 0.000000 | 0.000000 |
3.413576 | 0.005163 | 0.044805 | 0.312869 | -0.084131 | -0.099125 | -0.765999 | -3.667760 | 0.000000 | 0.000000 | 0.000000 |
1.632884 | -0.000168 | -0.004771 | 0.678789 | -0.221235 | -0.952023 | -1.595111 | 2.908906 | 0.000000 | 0.000000 | 0.000000 |
0.743579 | -0.000081 | -0.000971 | 0.307419 | -0.194370 | 0.479000 | 2.605156 | 0.123307 | 0.000000 | 0.000000 | 0.000000 |
0.172592 | 0.000000 | -0.000225 | 0.014665 | 0.295815 | 1.499728 | -0.764769 | -3.256887 | 0.000000 | 0.000000 | 0.000000 |
0.077420 | 0.000000 | 0.000145 | -0.003954 | 0.576885 | -0.653359 | -1.174913 | 4.630344 | 0.000000 | 0.000000 | 0.000000 |
0.033701 | 0.000001 | -0.000042 | 0.002290 | 0.279059 | -0.746111 | 1.304732 | -2.307264 | 1.000000 | 0.000000 | 0.000000 |
6.751100 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
1.857800 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: N.B. Balabanov and K.A. Peterson, J. Chem. Phys. 123, 064107 (2005)