MOLPRO Basis Query, element=Bk, basis=cc-pwCVQZ-DK3, l=p
Basis Bk p cc-pwCVQZ-DK3
| Primitives | Contractions... |
|---|
| 78329218.000000 | 0.000021 | -0.000026 | 0.000002 | -0.000004 | 0.000002 | -0.000000 | -0.000001 | -0.000002 | 0.000003 | -0.000003 | 0.000000 | 0.000000 | 0.000000 |
| 30058864.000000 | 0.000008 | -0.000010 | 0.000001 | -0.000001 | 0.000001 | -0.000000 | -0.000001 | -0.000001 | 0.000001 | -0.000001 | 0.000000 | 0.000000 | 0.000000 |
| 11613715.000000 | 0.000051 | -0.000063 | 0.000004 | -0.000009 | 0.000004 | -0.000001 | -0.000003 | -0.000005 | 0.000007 | -0.000008 | 0.000000 | 0.000000 | 0.000000 |
| 4670729.000000 | 0.000062 | -0.000077 | 0.000005 | -0.000011 | 0.000005 | -0.000001 | -0.000004 | -0.000006 | 0.000008 | -0.000009 | 0.000000 | 0.000000 | 0.000000 |
| 1941818.400000 | 0.000148 | -0.000183 | 0.000011 | -0.000027 | 0.000012 | -0.000003 | -0.000009 | -0.000014 | 0.000020 | -0.000022 | 0.000000 | 0.000000 | 0.000000 |
| 831316.220000 | 0.000245 | -0.000305 | 0.000018 | -0.000044 | 0.000020 | -0.000004 | -0.000015 | -0.000023 | 0.000033 | -0.000038 | 0.000000 | 0.000000 | 0.000000 |
| 365243.450000 | 0.000495 | -0.000616 | 0.000037 | -0.000090 | 0.000040 | -0.000009 | -0.000031 | -0.000046 | 0.000068 | -0.000074 | 0.000000 | 0.000000 | 0.000000 |
| 164404.150000 | 0.000916 | -0.001144 | 0.000070 | -0.000167 | 0.000074 | -0.000017 | -0.000057 | -0.000086 | 0.000126 | -0.000145 | 0.000000 | 0.000000 | 0.000000 |
| 75725.837000 | 0.001823 | -0.002284 | 0.000142 | -0.000335 | 0.000149 | -0.000034 | -0.000115 | -0.000172 | 0.000252 | -0.000272 | 0.000000 | 0.000000 | 0.000000 |
| 35679.845000 | 0.003610 | -0.004546 | 0.000287 | -0.000669 | 0.000298 | -0.000068 | -0.000230 | -0.000342 | 0.000504 | -0.000588 | 0.000000 | 0.000000 | 0.000000 |
| 17206.904000 | 0.007408 | -0.009386 | 0.000605 | -0.001388 | 0.000618 | -0.000140 | -0.000478 | -0.000715 | 0.001046 | -0.001106 | 0.000000 | 0.000000 | 0.000000 |
| 8506.342900 | 0.015268 | -0.019532 | 0.001302 | -0.002910 | 0.001296 | -0.000294 | -0.000997 | -0.001483 | 0.002195 | -0.002614 | 0.000000 | 0.000000 | 0.000000 |
| 4317.081100 | 0.031468 | -0.040801 | 0.002835 | -0.006139 | 0.002734 | -0.000620 | -0.002117 | -0.003174 | 0.004630 | -0.004771 | 0.000000 | 0.000000 | 0.000000 |
| 2250.463000 | 0.062391 | -0.082600 | 0.006121 | -0.012631 | 0.005624 | -0.001275 | -0.004323 | -0.006417 | 0.009532 | -0.011678 | 0.000000 | 0.000000 | 0.000000 |
| 1203.709400 | 0.113493 | -0.154485 | 0.012346 | -0.024100 | 0.010729 | -0.002433 | -0.008327 | -0.012519 | 0.018203 | -0.017916 | 0.000000 | 0.000000 | 0.000000 |
| 659.087450 | 0.175624 | -0.247513 | 0.021709 | -0.039646 | 0.017646 | -0.004001 | -0.013523 | -0.019983 | 0.029944 | -0.039352 | 0.000000 | 0.000000 | 0.000000 |
| 368.760460 | 0.210173 | -0.293606 | 0.024841 | -0.046505 | 0.020702 | -0.004694 | -0.016220 | -0.024697 | 0.035173 | -0.026165 | 0.000000 | 0.000000 | 0.000000 |
| 209.776470 | 0.186380 | -0.159050 | -0.012237 | -0.010932 | 0.004843 | -0.001090 | -0.003174 | -0.003591 | 0.007410 | -0.036295 | 0.000000 | 0.000000 | 0.000000 |
| 120.877800 | 0.161227 | 0.191908 | -0.129905 | 0.094802 | -0.042375 | 0.009643 | 0.031945 | 0.046024 | -0.074769 | 0.146100 | 0.000000 | 0.000000 | 0.000000 |
| 71.011529 | 0.178932 | 0.502702 | -0.281768 | 0.220886 | -0.099258 | 0.022619 | 0.079783 | 0.125551 | -0.182022 | 0.097161 | 0.000000 | 0.000000 | 0.000000 |
| 41.927571 | 0.134154 | 0.393203 | -0.172099 | 0.131316 | -0.057647 | 0.013072 | 0.040244 | 0.050778 | -0.088669 | 0.313150 | 0.000000 | 0.000000 | 0.000000 |
| 24.687735 | 0.041551 | 0.041052 | 0.267786 | -0.208223 | 0.099384 | -0.022992 | -0.073782 | -0.105214 | 0.228552 | -0.743796 | 0.000000 | 0.000000 | 0.000000 |
| 14.651067 | 0.001338 | -0.145280 | 0.574879 | -0.541011 | 0.269785 | -0.062618 | -0.230885 | -0.382676 | 0.531993 | 0.160423 | 0.000000 | 0.000000 | 0.000000 |
| 8.690066 | -0.001564 | -0.091992 | 0.342977 | -0.261187 | 0.114027 | -0.026113 | -0.064135 | -0.041194 | 0.124982 | -1.421380 | 1.000000 | 0.000000 | 0.000000 |
| 5.057553 | -0.000247 | -0.015682 | 0.065484 | 0.434140 | -0.293584 | 0.071375 | 0.226178 | 0.345347 | -1.071530 | 4.278400 | 0.000000 | 1.000000 | 0.000000 |
| 2.895031 | 0.000190 | 0.003014 | 0.000814 | 0.605289 | -0.447821 | 0.113953 | 0.500944 | 0.997963 | -1.421480 | -2.999250 | 0.000000 | 0.000000 | 0.000000 |
| 1.616239 | 0.000077 | 0.001287 | -0.000500 | 0.242656 | -0.088326 | 0.016450 | -0.080876 | -0.782841 | 3.916440 | -2.692010 | 0.000000 | 0.000000 | 0.000000 |
| 0.871977 | 0.000015 | 0.000303 | -0.000256 | 0.041681 | 0.393321 | -0.121542 | -0.770770 | -1.384990 | -1.711650 | 6.679750 | 0.000000 | 0.000000 | 0.000000 |
| 0.460788 | 0.000002 | 0.000015 | 0.000075 | 0.018630 | 0.519963 | -0.183359 | -0.245155 | 0.938827 | -1.927500 | -5.546910 | 0.000000 | 0.000000 | 0.000000 |
| 0.238390 | 0.000002 | 0.000042 | -0.000014 | 0.008443 | 0.268976 | -0.126337 | 0.359493 | 1.032090 | 2.097360 | 1.471740 | 0.000000 | 0.000000 | 0.000000 |
| 0.111975 | -0.000000 | -0.000008 | 0.000020 | 0.001454 | 0.044732 | 0.144474 | 0.568895 | -0.569213 | 0.092852 | 1.389780 | 0.000000 | 0.000000 | 0.000000 |
| 0.054914 | 0.000000 | 0.000006 | -0.000008 | -0.000040 | 0.001001 | 0.469412 | 0.240757 | -0.540558 | -0.750399 | -1.167930 | 0.000000 | 0.000000 | 0.000000 |
| 0.027153 | -0.000000 | -0.000003 | 0.000004 | 0.000066 | 0.001347 | 0.436465 | 0.028308 | -0.036473 | -0.037046 | -0.031198 | 0.000000 | 0.000000 | 0.000000 |
| 0.013346 | 0.000000 | 0.000001 | -0.000001 | -0.000015 | -0.000246 | 0.108686 | -0.000206 | -0.006005 | -0.013243 | -0.032247 | 0.000000 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
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