MOLPRO Basis Query, element=No, basis=cc-pwCVTZ-X2C, l=p
Basis No p cc-pwCVTZ-X2C
| Primitives | Contractions... |
|---|
| 58629376.000000 | 0.000022 | -0.000028 | 0.000001 | -0.000004 | 0.000002 | -0.000000 | -0.000002 | -0.000002 | -0.000003 | 0.000000 | 0.000000 | 0.000000 |
| 18755475.000000 | 0.000022 | -0.000028 | 0.000001 | -0.000004 | 0.000002 | -0.000000 | -0.000002 | -0.000002 | -0.000003 | 0.000000 | 0.000000 | 0.000000 |
| 6317289.700000 | 0.000075 | -0.000098 | 0.000004 | -0.000015 | 0.000006 | -0.000001 | -0.000005 | -0.000008 | -0.000011 | 0.000000 | 0.000000 | 0.000000 |
| 2253237.400000 | 0.000137 | -0.000179 | 0.000007 | -0.000027 | 0.000012 | -0.000002 | -0.000010 | -0.000015 | -0.000021 | 0.000000 | 0.000000 | 0.000000 |
| 841053.930000 | 0.000321 | -0.000419 | 0.000017 | -0.000063 | 0.000027 | -0.000005 | -0.000023 | -0.000034 | -0.000049 | 0.000000 | 0.000000 | 0.000000 |
| 326369.530000 | 0.000667 | -0.000874 | 0.000036 | -0.000132 | 0.000057 | -0.000011 | -0.000048 | -0.000072 | -0.000102 | 0.000000 | 0.000000 | 0.000000 |
| 131099.680000 | 0.001479 | -0.001942 | 0.000081 | -0.000293 | 0.000127 | -0.000026 | -0.000106 | -0.000160 | -0.000227 | 0.000000 | 0.000000 | 0.000000 |
| 54406.021000 | 0.003246 | -0.004279 | 0.000183 | -0.000648 | 0.000282 | -0.000057 | -0.000234 | -0.000352 | -0.000502 | 0.000000 | 0.000000 | 0.000000 |
| 23323.043000 | 0.007339 | -0.009739 | 0.000429 | -0.001480 | 0.000644 | -0.000129 | -0.000537 | -0.000807 | -0.001148 | 0.000000 | 0.000000 | 0.000000 |
| 10343.647000 | 0.016675 | -0.022339 | 0.001032 | -0.003425 | 0.001490 | -0.000299 | -0.001236 | -0.001862 | -0.002655 | 0.000000 | 0.000000 | 0.000000 |
| 4754.904400 | 0.037560 | -0.051100 | 0.002524 | -0.007912 | 0.003441 | -0.000690 | -0.002877 | -0.004317 | -0.006138 | 0.000000 | 0.000000 | 0.000000 |
| 2267.287500 | 0.079844 | -0.111201 | 0.006072 | -0.017561 | 0.007641 | -0.001533 | -0.006328 | -0.009547 | -0.013633 | 0.000000 | 0.000000 | 0.000000 |
| 1119.060300 | 0.149113 | -0.214725 | 0.013208 | -0.034641 | 0.015061 | -0.003021 | -0.012631 | -0.018936 | -0.026919 | 0.000000 | 0.000000 | 0.000000 |
| 569.550890 | 0.218920 | -0.324493 | 0.022112 | -0.053711 | 0.023375 | -0.004689 | -0.019240 | -0.029144 | -0.041767 | 0.000000 | 0.000000 | 0.000000 |
| 297.497540 | 0.223439 | -0.275147 | 0.004453 | -0.037040 | 0.016058 | -0.003220 | -0.013904 | -0.020417 | -0.028350 | 0.000000 | 0.000000 | 0.000000 |
| 158.338900 | 0.188019 | 0.104527 | -0.106176 | 0.073857 | -0.032251 | 0.006503 | 0.028495 | 0.042378 | 0.060405 | 0.000000 | 0.000000 | 0.000000 |
| 85.812775 | 0.211940 | 0.558815 | -0.305269 | 0.254640 | -0.112070 | 0.022559 | 0.091843 | 0.143318 | 0.217278 | 0.000000 | 0.000000 | 0.000000 |
| 46.950749 | 0.157131 | 0.440800 | -0.173998 | 0.142284 | -0.060833 | 0.012246 | 0.055703 | 0.076877 | 0.093864 | 0.000000 | 0.000000 | 0.000000 |
| 25.285341 | 0.034364 | -0.034376 | 0.436484 | -0.367911 | 0.174429 | -0.035763 | -0.165960 | -0.259046 | -0.418258 | 0.000000 | 0.000000 | 0.000000 |
| 13.937700 | -0.003147 | -0.183533 | 0.623914 | -0.648095 | 0.319127 | -0.065324 | -0.252952 | -0.402167 | -0.592863 | 0.000000 | 0.000000 | 0.000000 |
| 7.519836 | -0.000824 | -0.051492 | 0.184396 | 0.222878 | -0.177796 | 0.038149 | 0.135174 | 0.285956 | 0.611688 | 0.000000 | 0.000000 | 0.000000 |
| 3.994813 | 0.000012 | 0.001230 | 0.004242 | 0.666155 | -0.457304 | 0.100580 | 0.572160 | 1.053490 | 2.652220 | 0.000000 | 0.000000 | 0.000000 |
| 2.478742 | 0.000183 | 0.001998 | 0.000275 | 0.308055 | -0.200061 | 0.041056 | 0.044132 | -0.235481 | -3.569860 | 0.000000 | 0.000000 | 0.000000 |
| 1.261614 | 0.000014 | 0.000653 | -0.000894 | 0.120838 | 0.250690 | -0.063518 | -0.570780 | -1.714810 | -0.307724 | 0.000000 | 0.000000 | 0.000000 |
| 0.655038 | 0.000009 | -0.000007 | 0.000213 | -0.001741 | 0.530431 | -0.153230 | -0.650892 | 0.607331 | 3.142270 | 0.000000 | 0.000000 | 0.000000 |
| 0.325959 | -0.000000 | 0.000051 | -0.000054 | 0.017821 | 0.404136 | -0.151182 | 0.585411 | 1.077580 | -2.233660 | 0.000000 | 0.000000 | 0.000000 |
| 0.094084 | 0.000001 | -0.000004 | 0.000028 | -0.000379 | 0.074727 | 0.238626 | 0.733503 | -0.772717 | 0.085936 | 0.000000 | 0.000000 | 0.000000 |
| 0.045343 | -0.000000 | 0.000004 | -0.000017 | 0.000837 | -0.029280 | 0.504774 | -0.044591 | -0.193716 | 0.633274 | 0.000000 | 0.000000 | 0.000000 |
| 0.021175 | 0.000000 | -0.000001 | 0.000006 | -0.000282 | 0.009318 | 0.385231 | 0.050730 | -0.017423 | -0.083698 | 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)
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