MOLPRO Basis Query, element=No, basis=cc-pwCVTZ-DK3, l=p
Basis No p cc-pwCVTZ-DK3
| Primitives | Contractions... |
|---|
| 58629376.000000 | 0.000032 | -0.000041 | 0.000002 | -0.000006 | 0.000003 | -0.000001 | -0.000002 | -0.000003 | -0.000005 | 0.000000 | 0.000000 | 0.000000 |
| 18755475.000000 | 0.000031 | -0.000040 | 0.000002 | -0.000006 | 0.000003 | -0.000001 | -0.000002 | -0.000003 | -0.000005 | 0.000000 | 0.000000 | 0.000000 |
| 6317289.700000 | 0.000100 | -0.000130 | 0.000005 | -0.000019 | 0.000008 | -0.000002 | -0.000007 | -0.000011 | -0.000015 | 0.000000 | 0.000000 | 0.000000 |
| 2253237.400000 | 0.000173 | -0.000224 | 0.000009 | -0.000034 | 0.000015 | -0.000003 | -0.000012 | -0.000018 | -0.000026 | 0.000000 | 0.000000 | 0.000000 |
| 841053.930000 | 0.000384 | -0.000497 | 0.000019 | -0.000074 | 0.000032 | -0.000006 | -0.000027 | -0.000041 | -0.000058 | 0.000000 | 0.000000 | 0.000000 |
| 326369.530000 | 0.000762 | -0.000990 | 0.000039 | -0.000148 | 0.000065 | -0.000013 | -0.000054 | -0.000081 | -0.000115 | 0.000000 | 0.000000 | 0.000000 |
| 131099.680000 | 0.001624 | -0.002118 | 0.000085 | -0.000319 | 0.000139 | -0.000028 | -0.000116 | -0.000174 | -0.000247 | 0.000000 | 0.000000 | 0.000000 |
| 54406.021000 | 0.003455 | -0.004529 | 0.000187 | -0.000684 | 0.000298 | -0.000060 | -0.000248 | -0.000372 | -0.000531 | 0.000000 | 0.000000 | 0.000000 |
| 23323.043000 | 0.007626 | -0.010070 | 0.000432 | -0.001528 | 0.000665 | -0.000133 | -0.000555 | -0.000834 | -0.001186 | 0.000000 | 0.000000 | 0.000000 |
| 10343.647000 | 0.017008 | -0.022691 | 0.001025 | -0.003476 | 0.001512 | -0.000303 | -0.001256 | -0.001891 | -0.002696 | 0.000000 | 0.000000 | 0.000000 |
| 4754.904400 | 0.037838 | -0.051303 | 0.002491 | -0.007941 | 0.003454 | -0.000693 | -0.002890 | -0.004335 | -0.006164 | 0.000000 | 0.000000 | 0.000000 |
| 2267.287500 | 0.079976 | -0.111071 | 0.005986 | -0.017544 | 0.007634 | -0.001531 | -0.006328 | -0.009541 | -0.013626 | 0.000000 | 0.000000 | 0.000000 |
| 1119.060300 | 0.149199 | -0.214321 | 0.013048 | -0.034591 | 0.015040 | -0.003017 | -0.012624 | -0.018915 | -0.026895 | 0.000000 | 0.000000 | 0.000000 |
| 569.550890 | 0.219145 | -0.324086 | 0.021896 | -0.053674 | 0.023360 | -0.004685 | -0.019244 | -0.029133 | -0.041762 | 0.000000 | 0.000000 | 0.000000 |
| 297.497540 | 0.223704 | -0.274940 | 0.004301 | -0.037050 | 0.016063 | -0.003221 | -0.013920 | -0.020427 | -0.028375 | 0.000000 | 0.000000 | 0.000000 |
| 158.338900 | 0.187913 | 0.104626 | -0.106050 | 0.073798 | -0.032225 | 0.006498 | 0.028498 | 0.042355 | 0.060392 | 0.000000 | 0.000000 | 0.000000 |
| 85.812775 | 0.211358 | 0.559168 | -0.304892 | 0.254604 | -0.112056 | 0.022555 | 0.091910 | 0.143347 | 0.217381 | 0.000000 | 0.000000 | 0.000000 |
| 46.950749 | 0.156708 | 0.441197 | -0.173832 | 0.142369 | -0.060871 | 0.012253 | 0.055785 | 0.076935 | 0.093986 | 0.000000 | 0.000000 | 0.000000 |
| 25.285341 | 0.034412 | -0.034529 | 0.436338 | -0.367768 | 0.174353 | -0.035744 | -0.166049 | -0.259047 | -0.418528 | 0.000000 | 0.000000 | 0.000000 |
| 13.937700 | -0.002968 | -0.183963 | 0.623889 | -0.648160 | 0.319161 | -0.065328 | -0.253191 | -0.402307 | -0.592941 | 0.000000 | 0.000000 | 0.000000 |
| 7.519836 | -0.000775 | -0.051635 | 0.184445 | 0.222685 | -0.177677 | 0.038124 | 0.135189 | 0.285988 | 0.611767 | 0.000000 | 0.000000 | 0.000000 |
| 3.994813 | 0.000010 | 0.001233 | 0.004226 | 0.666134 | -0.457236 | 0.100548 | 0.572634 | 1.053690 | 2.653600 | 0.000000 | 0.000000 | 0.000000 |
| 2.478742 | 0.000181 | 0.002002 | 0.000268 | 0.308159 | -0.200176 | 0.041092 | 0.044214 | -0.235567 | -3.572680 | 0.000000 | 0.000000 | 0.000000 |
| 1.261614 | 0.000014 | 0.000655 | -0.000899 | 0.120888 | 0.250576 | -0.063499 | -0.571173 | -1.715600 | -0.305079 | 0.000000 | 0.000000 | 0.000000 |
| 0.655038 | 0.000009 | -0.000007 | 0.000214 | -0.001748 | 0.530333 | -0.153163 | -0.651485 | 0.608965 | 3.141460 | 0.000000 | 0.000000 | 0.000000 |
| 0.325959 | -0.000000 | 0.000052 | -0.000054 | 0.017825 | 0.404285 | -0.151212 | 0.586261 | 1.076820 | -2.234750 | 0.000000 | 0.000000 | 0.000000 |
| 0.094084 | 0.000001 | -0.000004 | 0.000028 | -0.000377 | 0.074823 | 0.238385 | 0.733379 | -0.773822 | 0.088024 | 0.000000 | 0.000000 | 0.000000 |
| 0.045343 | -0.000000 | 0.000004 | -0.000017 | 0.000837 | -0.029316 | 0.504576 | -0.045102 | -0.192778 | 0.631851 | 0.000000 | 0.000000 | 0.000000 |
| 0.021175 | 0.000000 | -0.000001 | 0.000006 | -0.000281 | 0.009329 | 0.385646 | 0.050769 | -0.017560 | -0.083488 | 1.000000 | 0.000000 | 0.000000 |
| 9.222641 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 5.666437 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)