MOLPRO Basis Query, element=Pm, basis=cc-pVQZ-DK3, l=s
Basis Pm s cc-pVQZ-DK3
| Primitives | Contractions... |
|---|
| 72511670.000000 | 0.000254 | -0.000131 | 0.000074 | -0.000017 | 0.000009 | -0.000005 | -0.000008 | 0.000011 | -0.000014 | -0.000014 | 0.000000 |
| 19294650.000000 | 0.000252 | -0.000130 | 0.000073 | -0.000017 | 0.000009 | -0.000005 | -0.000008 | 0.000011 | -0.000014 | -0.000014 | 0.000000 |
| 6614735.000000 | 0.000723 | -0.000375 | 0.000210 | -0.000049 | 0.000026 | -0.000014 | -0.000023 | 0.000032 | -0.000041 | -0.000040 | 0.000000 |
| 2525625.000000 | 0.001025 | -0.000532 | 0.000298 | -0.000069 | 0.000037 | -0.000020 | -0.000033 | 0.000045 | -0.000058 | -0.000056 | 0.000000 |
| 1052543.000000 | 0.002046 | -0.001063 | 0.000597 | -0.000139 | 0.000074 | -0.000041 | -0.000065 | 0.000090 | -0.000116 | -0.000112 | 0.000000 |
| 462430.800000 | 0.003230 | -0.001683 | 0.000946 | -0.000220 | 0.000117 | -0.000064 | -0.000104 | 0.000143 | -0.000183 | -0.000179 | 0.000000 |
| 212071.400000 | 0.005774 | -0.003017 | 0.001699 | -0.000396 | 0.000211 | -0.000116 | -0.000186 | 0.000258 | -0.000331 | -0.000319 | 0.000000 |
| 100344.200000 | 0.009518 | -0.004998 | 0.002824 | -0.000660 | 0.000351 | -0.000193 | -0.000310 | 0.000428 | -0.000547 | -0.000539 | 0.000000 |
| 48789.000000 | 0.016484 | -0.008714 | 0.004947 | -0.001157 | 0.000615 | -0.000338 | -0.000544 | 0.000753 | -0.000968 | -0.000923 | 0.000000 |
| 24282.660000 | 0.027773 | -0.014839 | 0.008484 | -0.001989 | 0.001057 | -0.000581 | -0.000935 | 0.001288 | -0.001643 | -0.001641 | 0.000000 |
| 12345.990000 | 0.047632 | -0.025852 | 0.014933 | -0.003513 | 0.001867 | -0.001026 | -0.001652 | 0.002290 | -0.002952 | -0.002766 | 0.000000 |
| 6399.854000 | 0.079659 | -0.044350 | 0.026038 | -0.006159 | 0.003272 | -0.001798 | -0.002894 | 0.003979 | -0.005060 | -0.005166 | 0.000000 |
| 3378.247000 | 0.128776 | -0.074674 | 0.044964 | -0.010728 | 0.005695 | -0.003129 | -0.005041 | 0.007012 | -0.009085 | -0.008278 | 0.000000 |
| 1814.473000 | 0.188208 | -0.116987 | 0.073366 | -0.017761 | 0.009418 | -0.005176 | -0.008333 | 0.011418 | -0.014436 | -0.015333 | 0.000000 |
| 991.113000 | 0.229274 | -0.159612 | 0.106465 | -0.026351 | 0.013950 | -0.007666 | -0.012364 | 0.017337 | -0.022746 | -0.019338 | 0.000000 |
| 549.983000 | 0.201050 | -0.163336 | 0.117660 | -0.030040 | 0.015870 | -0.008724 | -0.014054 | 0.018960 | -0.023331 | -0.028983 | 0.000000 |
| 309.292000 | 0.109935 | -0.071985 | 0.047571 | -0.011881 | 0.006287 | -0.003452 | -0.005588 | 0.008768 | -0.013485 | 0.000282 | 0.000000 |
| 174.582100 | 0.053827 | 0.132258 | -0.173443 | 0.054878 | -0.028654 | 0.015763 | 0.025689 | -0.038272 | 0.054986 | 0.025092 | 0.000000 |
| 101.101200 | 0.063398 | 0.304461 | -0.478234 | 0.170775 | -0.088938 | 0.049044 | 0.079728 | -0.106390 | 0.128853 | 0.194332 | 0.000000 |
| 59.397150 | 0.052807 | 0.253287 | -0.534429 | 0.214785 | -0.111657 | 0.061605 | 0.102052 | -0.156078 | 0.227874 | 0.086315 | 0.000000 |
| 35.378750 | 0.023690 | 0.118107 | -0.148204 | 0.060214 | -0.032936 | 0.018496 | 0.027853 | -0.010257 | -0.030321 | 0.283651 | 0.000000 |
| 21.856750 | 0.020889 | 0.136528 | 0.431366 | -0.331008 | 0.178569 | -0.100399 | -0.163241 | 0.177172 | -0.150701 | -0.788852 | 0.000000 |
| 13.798180 | 0.023975 | 0.159987 | 0.601482 | -0.644858 | 0.362766 | -0.205690 | -0.385721 | 0.714817 | -1.335790 | -0.630066 | 0.000000 |
| 8.581692 | 0.012197 | 0.083242 | 0.319649 | -0.335346 | 0.179025 | -0.100869 | -0.156781 | 0.044189 | 0.474496 | -0.499730 | 0.000000 |
| 4.978507 | 0.002050 | 0.012675 | 0.031060 | 0.390881 | -0.255888 | 0.150518 | 0.371591 | -0.581342 | 0.541237 | 3.581990 | 0.000000 |
| 3.036654 | -0.000486 | -0.003598 | -0.039068 | 0.673487 | -0.577354 | 0.361036 | 0.755860 | -1.622590 | 4.980520 | 2.444420 | 0.000000 |
| 1.824230 | -0.000052 | -0.001044 | -0.016705 | 0.313146 | -0.417939 | 0.278502 | 0.641443 | 0.026384 | -7.711530 | -14.330600 | 0.000000 |
| 1.075905 | -0.000096 | -0.000532 | -0.004104 | 0.066390 | 0.126912 | -0.109911 | -1.412210 | 3.478010 | -0.377320 | 14.821600 | 0.000000 |
| 0.609906 | 0.000020 | -0.000012 | -0.001277 | 0.054790 | 0.526728 | -0.413783 | -0.974751 | -0.430878 | 6.874410 | -2.425320 | 0.000000 |
| 0.349519 | -0.000029 | -0.000160 | -0.001368 | 0.041161 | 0.393258 | -0.443622 | 0.240953 | -2.791210 | -2.454070 | -7.619190 | 0.000000 |
| 0.196896 | 0.000007 | 0.000010 | -0.000196 | 0.009960 | 0.075876 | -0.219517 | 0.935695 | -0.042380 | -3.154840 | 5.761140 | 0.000000 |
| 0.096864 | -0.000005 | -0.000020 | -0.000097 | 0.002533 | 0.058513 | 0.166677 | 0.857004 | 1.987140 | 1.844800 | 1.446350 | 0.000000 |
| 0.051745 | 0.000001 | -0.000002 | -0.000093 | 0.006107 | 0.160305 | 0.516536 | -0.246882 | 0.184417 | 1.139960 | -3.591010 | 0.000000 |
| 0.027080 | -0.000002 | -0.000012 | -0.000108 | 0.005122 | 0.134836 | 0.435382 | -0.600850 | -0.758895 | -0.715608 | 0.585328 | 0.000000 |
| 0.014133 | 0.000000 | -0.000001 | -0.000016 | 0.000943 | 0.024828 | 0.080493 | -0.208162 | -0.329285 | -0.433566 | 0.928727 | 1.000000 |
Comment: Q. Lu and K.A. Peterson, J. Chem. Phys. 145, 054111 (2016)
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