MOLPRO Basis Query, element=Sc, basis=aug-cc-pwCVQZ-DK, l=p
Basis Sc p aug-cc-pwCVQZ-DK
Primitives | Contractions... |
22640.970000 | 0.000039 | -0.000013 | -0.000003 | 0.000004 | 0.000008 | -0.000009 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
5357.545000 | 0.000173 | -0.000057 | -0.000014 | 0.000017 | 0.000033 | -0.000044 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1740.373000 | 0.000784 | -0.000257 | -0.000063 | 0.000076 | 0.000159 | -0.000167 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
666.616300 | 0.003141 | -0.001035 | -0.000252 | 0.000307 | 0.000592 | -0.000833 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
283.638400 | 0.011115 | -0.003679 | -0.000900 | 0.001093 | 0.002277 | -0.002350 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
129.797600 | 0.033811 | -0.011336 | -0.002761 | 0.003372 | 0.006462 | -0.009188 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
62.679560 | 0.087130 | -0.029848 | -0.007323 | 0.008880 | 0.018608 | -0.018545 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
31.504410 | 0.181066 | -0.064054 | -0.015655 | 0.019123 | 0.036008 | -0.053755 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
16.235250 | 0.289470 | -0.106077 | -0.026266 | 0.031746 | 0.069418 | -0.059653 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
8.518324 | 0.326955 | -0.128014 | -0.031569 | 0.038762 | 0.070761 | -0.156949 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
4.519005 | 0.208919 | -0.051538 | -0.012080 | 0.014642 | 0.057589 | 0.012935 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2.366591 | 0.054181 | 0.175306 | 0.052784 | -0.060690 | -0.176747 | 0.089444 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.215235 | 0.001672 | 0.392915 | 0.113813 | -0.135627 | -0.333302 | 1.276811 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.614348 | -0.001571 | 0.395560 | 0.145762 | -0.175172 | -0.569889 | -1.059147 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.300745 | -0.001016 | 0.175503 | 0.013203 | -0.077100 | 1.178258 | -1.324172 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.125834 | -0.000059 | 0.019022 | -0.352261 | 0.564691 | 0.550719 | 2.368099 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.054719 | -0.000020 | 0.000074 | -0.550087 | 0.541065 | -0.978221 | -1.175071 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023488 | 0.000004 | 0.000305 | -0.226386 | 0.035605 | -0.076986 | -0.192974 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.071900 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
0.999400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.010080 | 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)