MOLPRO Basis Query, element=K, basis=aug-cc-pwCVQZ-X, l=s
Basis K s aug-cc-pwCVQZ-X
Primitives | Contractions... |
113549080.000000 | 0.000004 | -0.000001 | 0.000000 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
24478382.000000 | 0.000007 | -0.000002 | 0.000001 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6741026.800000 | 0.000018 | -0.000005 | 0.000002 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2112545.200000 | 0.000038 | -0.000011 | 0.000004 | -0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
731996.590000 | 0.000083 | -0.000024 | 0.000008 | -0.000002 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
273831.410000 | 0.000175 | -0.000051 | 0.000017 | -0.000003 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
108936.220000 | 0.000375 | -0.000109 | 0.000036 | -0.000007 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45398.775000 | 0.000817 | -0.000238 | 0.000078 | -0.000015 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
19658.216000 | 0.001811 | -0.000527 | 0.000174 | -0.000034 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
8824.135000 | 0.004041 | -0.001180 | 0.000389 | -0.000075 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
4091.671800 | 0.009044 | -0.002655 | 0.000876 | -0.000169 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1952.908300 | 0.020026 | -0.005944 | 0.001964 | -0.000381 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
957.195760 | 0.043019 | -0.013020 | 0.004309 | -0.000833 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
480.522930 | 0.087122 | -0.027398 | 0.009110 | -0.001766 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
246.322910 | 0.159611 | -0.053794 | 0.018002 | -0.003485 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
128.634800 | 0.247469 | -0.094965 | 0.032256 | -0.006269 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
68.290119 | 0.289873 | -0.139435 | 0.048504 | -0.009422 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
36.668511 | 0.212227 | -0.140152 | 0.050858 | -0.009973 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
19.717268 | 0.072467 | -0.013049 | 0.004416 | -0.000800 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
10.350307 | 0.007404 | 0.270023 | -0.115743 | 0.022920 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
5.521912 | 0.000879 | 0.490561 | -0.286715 | 0.059539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2.970577 | 0.000048 | 0.322512 | -0.303724 | 0.065108 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.565147 | 0.000015 | 0.063288 | 0.063097 | -0.018029 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.795116 | -0.000067 | 0.003276 | 0.508451 | -0.127551 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.398607 | 0.000003 | 0.001210 | 0.523405 | -0.170013 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.196359 | -0.000009 | 0.000097 | 0.148487 | -0.183489 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.052907 | 0.000006 | 0.000055 | 0.002889 | 0.247442 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.033050 | -0.000007 | -0.000067 | -0.000870 | 0.454682 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.019684 | 0.000004 | 0.000033 | 0.000338 | 0.353870 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.011613 | -0.000001 | -0.000009 | 0.000060 | 0.100409 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
4.540100 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
1.659000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
0.606200 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.006850 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)