MOLPRO Basis Query, element=U, basis=cc-pwCVQZ-DK3, l=p
Basis U p cc-pwCVQZ-DK3
| Primitives | Contractions... |
|---|
| 78339499.000000 | 0.000015 | -0.000019 | 0.000002 | -0.000003 | 0.000001 | -0.000000 | -0.000001 | -0.000001 | -0.000002 | 0.000002 | 0.000000 | 0.000000 | 0.000000 |
| 29808990.000000 | 0.000007 | -0.000008 | 0.000001 | -0.000001 | 0.000001 | -0.000000 | -0.000000 | -0.000001 | -0.000001 | 0.000001 | 0.000000 | 0.000000 | 0.000000 |
| 11443420.000000 | 0.000039 | -0.000046 | 0.000005 | -0.000007 | 0.000003 | -0.000001 | -0.000002 | -0.000003 | -0.000005 | 0.000005 | 0.000000 | 0.000000 | 0.000000 |
| 4581199.800000 | 0.000048 | -0.000058 | 0.000006 | -0.000008 | 0.000004 | -0.000001 | -0.000002 | -0.000004 | -0.000006 | 0.000006 | 0.000000 | 0.000000 | 0.000000 |
| 1897246.000000 | 0.000115 | -0.000139 | 0.000015 | -0.000020 | 0.000009 | -0.000002 | -0.000006 | -0.000010 | -0.000014 | 0.000016 | 0.000000 | 0.000000 | 0.000000 |
| 809797.420000 | 0.000194 | -0.000234 | 0.000026 | -0.000033 | 0.000015 | -0.000003 | -0.000010 | -0.000016 | -0.000023 | 0.000026 | 0.000000 | 0.000000 | 0.000000 |
| 355067.410000 | 0.000393 | -0.000475 | 0.000052 | -0.000067 | 0.000030 | -0.000007 | -0.000020 | -0.000033 | -0.000047 | 0.000054 | 0.000000 | 0.000000 | 0.000000 |
| 159603.260000 | 0.000737 | -0.000893 | 0.000099 | -0.000127 | 0.000057 | -0.000013 | -0.000038 | -0.000062 | -0.000087 | 0.000099 | 0.000000 | 0.000000 | 0.000000 |
| 73450.101000 | 0.001481 | -0.001800 | 0.000201 | -0.000256 | 0.000115 | -0.000027 | -0.000077 | -0.000127 | -0.000182 | 0.000205 | 0.000000 | 0.000000 | 0.000000 |
| 34594.867000 | 0.002970 | -0.003626 | 0.000408 | -0.000517 | 0.000232 | -0.000054 | -0.000155 | -0.000254 | -0.000351 | 0.000403 | 0.000000 | 0.000000 | 0.000000 |
| 16686.687000 | 0.006173 | -0.007579 | 0.000862 | -0.001086 | 0.000487 | -0.000114 | -0.000327 | -0.000539 | -0.000779 | 0.000879 | 0.000000 | 0.000000 | 0.000000 |
| 8256.416400 | 0.012914 | -0.015993 | 0.001849 | -0.002307 | 0.001033 | -0.000242 | -0.000693 | -0.001129 | -0.001547 | 0.001782 | 0.000000 | 0.000000 | 0.000000 |
| 4196.778400 | 0.027062 | -0.033928 | 0.004015 | -0.004945 | 0.002216 | -0.000519 | -0.001488 | -0.002461 | -0.003593 | 0.004042 | 0.000000 | 0.000000 | 0.000000 |
| 2191.894200 | 0.054831 | -0.070079 | 0.008584 | -0.010355 | 0.004637 | -0.001087 | -0.003109 | -0.005053 | -0.006842 | 0.007922 | 0.000000 | 0.000000 | 0.000000 |
| 1174.828300 | 0.102632 | -0.134724 | 0.017297 | -0.020341 | 0.009115 | -0.002137 | -0.006126 | -0.010174 | -0.015093 | 0.016907 | 0.000000 | 0.000000 | 0.000000 |
| 644.614780 | 0.165428 | -0.224897 | 0.030574 | -0.034801 | 0.015574 | -0.003650 | -0.010436 | -0.016850 | -0.022123 | 0.025943 | 0.000000 | 0.000000 | 0.000000 |
| 361.413880 | 0.209471 | -0.289344 | 0.040373 | -0.045416 | 0.020362 | -0.004774 | -0.013715 | -0.023152 | -0.036582 | 0.040103 | 0.000000 | 0.000000 | 0.000000 |
| 206.270340 | 0.194054 | -0.205080 | 0.012464 | -0.023206 | 0.010326 | -0.002413 | -0.006820 | -0.009769 | -0.005176 | 0.008897 | 0.000000 | 0.000000 | 0.000000 |
| 119.336700 | 0.157979 | 0.095412 | -0.095350 | 0.059644 | -0.026664 | 0.006269 | 0.017854 | 0.026726 | 0.021133 | -0.032648 | 0.000000 | 0.000000 | 0.000000 |
| 70.143086 | 0.170647 | 0.439024 | -0.269341 | 0.188966 | -0.085571 | 0.020161 | 0.058345 | 0.102568 | 0.184107 | -0.202708 | 0.000000 | 0.000000 | 0.000000 |
| 41.704070 | 0.149288 | 0.441585 | -0.255481 | 0.173972 | -0.077443 | 0.018186 | 0.051706 | 0.075257 | 0.042820 | -0.075187 | 0.000000 | 0.000000 | 0.000000 |
| 24.702880 | 0.061527 | 0.138112 | 0.126276 | -0.094786 | 0.045230 | -0.010814 | -0.031192 | -0.038939 | 0.038788 | 0.036016 | 0.000000 | 0.000000 | 0.000000 |
| 14.496398 | 0.006728 | -0.090936 | 0.538351 | -0.448632 | 0.221646 | -0.053218 | -0.156340 | -0.296155 | -0.650593 | 0.726144 | 0.000000 | 0.000000 | 0.000000 |
| 8.575870 | -0.001629 | -0.093636 | 0.443842 | -0.405932 | 0.197420 | -0.047216 | -0.135746 | -0.181716 | 0.077384 | -0.092544 | 1.000000 | 0.000000 | 0.000000 |
| 4.980861 | -0.000482 | -0.025443 | 0.125039 | 0.213117 | -0.151767 | 0.038300 | 0.121519 | 0.187333 | -0.092171 | -0.078985 | 0.000000 | 1.000000 | 0.000000 |
| 2.840408 | 0.000122 | 0.001093 | 0.009074 | 0.623045 | -0.443951 | 0.115059 | 0.339061 | 0.725485 | 2.339880 | -3.877770 | 0.000000 | 0.000000 | 0.000000 |
| 1.604826 | 0.000103 | 0.001408 | 0.001225 | 0.367114 | -0.267926 | 0.069924 | 0.276015 | 0.349890 | -2.190760 | 8.153220 | 0.000000 | 0.000000 | 0.000000 |
| 0.883461 | 0.000025 | 0.000464 | -0.000275 | 0.080601 | 0.244875 | -0.081347 | -0.558444 | -1.771780 | -1.831920 | -6.896750 | 0.000000 | 0.000000 | 0.000000 |
| 0.474768 | 0.000003 | 0.000003 | 0.000229 | 0.023963 | 0.534580 | -0.183413 | -0.511575 | -0.080396 | 3.836680 | 1.250420 | 0.000000 | 0.000000 | 0.000000 |
| 0.253545 | 0.000002 | 0.000061 | -0.000036 | 0.013965 | 0.372019 | -0.181660 | 0.043118 | 1.529480 | -1.303640 | 3.315680 | 0.000000 | 0.000000 | 0.000000 |
| 0.131069 | 0.000000 | -0.000011 | 0.000064 | 0.003492 | 0.099275 | 0.016264 | 0.534165 | 0.063320 | -1.306670 | -3.470880 | 0.000000 | 0.000000 | 0.000000 |
| 0.062883 | 0.000000 | 0.000008 | -0.000019 | 0.000299 | 0.008973 | 0.404129 | 0.499742 | -0.808022 | 0.836293 | 0.981963 | 0.000000 | 0.000000 | 0.000000 |
| 0.030170 | -0.000000 | -0.000003 | 0.000009 | 0.000034 | 0.001249 | 0.538052 | 0.076980 | -0.152687 | 0.268440 | 0.369415 | 0.000000 | 0.000000 | 0.000000 |
| 0.014263 | 0.000000 | 0.000001 | -0.000002 | -0.000001 | -0.000063 | 0.178570 | 0.003654 | -0.005751 | -0.000032 | 0.021467 | 0.000000 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)