MOLPRO Basis Query, element=Lr, basis=cc-pVQZ-DK3, l=d
Basis Lr d cc-pVQZ-DK3
| Primitives | Contractions... |
|---|
| 862533.080000 | 0.000003 | -0.000001 | 0.000001 | -0.000000 | -0.000000 | 0.000000 | -0.000000 | -0.000001 | 0.000000 |
| 198266.960000 | 0.000014 | -0.000005 | 0.000004 | -0.000001 | -0.000002 | 0.000002 | -0.000002 | -0.000002 | 0.000000 |
| 61277.083000 | 0.000063 | -0.000023 | 0.000016 | -0.000004 | -0.000008 | 0.000009 | -0.000011 | -0.000015 | 0.000000 |
| 22382.680000 | 0.000248 | -0.000092 | 0.000064 | -0.000017 | -0.000032 | 0.000037 | -0.000042 | -0.000034 | 0.000000 |
| 9188.232200 | 0.000915 | -0.000339 | 0.000236 | -0.000062 | -0.000117 | 0.000131 | -0.000165 | -0.000237 | 0.000000 |
| 4127.306700 | 0.003169 | -0.001179 | 0.000819 | -0.000216 | -0.000410 | 0.000481 | -0.000544 | -0.000419 | 0.000000 |
| 1993.323900 | 0.010228 | -0.003842 | 0.002664 | -0.000704 | -0.001318 | 0.001476 | -0.001862 | -0.002689 | 0.000000 |
| 1018.875100 | 0.029978 | -0.011372 | 0.007881 | -0.002079 | -0.003943 | 0.004636 | -0.005245 | -0.004052 | 0.000000 |
| 543.614170 | 0.077654 | -0.030040 | 0.020749 | -0.005490 | -0.010268 | 0.011487 | -0.014535 | -0.021129 | 0.000000 |
| 300.142360 | 0.168884 | -0.066377 | 0.045794 | -0.012089 | -0.022970 | 0.027145 | -0.030443 | -0.021753 | 0.000000 |
| 169.784670 | 0.287650 | -0.112014 | 0.077303 | -0.020472 | -0.038222 | 0.042277 | -0.055269 | -0.089702 | 0.000000 |
| 97.866671 | 0.350281 | -0.119974 | 0.083775 | -0.021933 | -0.042352 | 0.052928 | -0.054687 | -0.004612 | 0.000000 |
| 57.003852 | 0.248616 | 0.010691 | -0.004682 | 0.002023 | 0.006148 | -0.015744 | 0.000831 | -0.115733 | 0.000000 |
| 33.259894 | 0.053517 | 0.268235 | -0.173240 | 0.048603 | 0.089531 | -0.095428 | 0.164610 | 0.434771 | 0.000000 |
| 19.409150 | -0.063282 | 0.443382 | -0.299144 | 0.082585 | 0.166592 | -0.220380 | 0.192511 | -0.208455 | 0.000000 |
| 11.325140 | -0.055163 | 0.311533 | -0.108544 | 0.024155 | 0.028827 | 0.007061 | 0.143951 | 0.974929 | 0.000000 |
| 6.524357 | -0.016107 | 0.089562 | 0.311354 | -0.111765 | -0.198274 | 0.229522 | -0.729802 | -2.765980 | 0.000000 |
| 3.662349 | -0.001211 | 0.007366 | 0.496095 | -0.170872 | -0.446895 | 0.853848 | -0.728433 | 2.319460 | 0.000000 |
| 1.969075 | 0.000103 | -0.000239 | 0.308135 | -0.065198 | 0.021035 | -1.084830 | 2.481370 | 0.426166 | 0.000000 |
| 0.995708 | 0.000047 | -0.000145 | 0.074289 | 0.189529 | 0.872532 | -0.507584 | -1.837440 | -2.389580 | 0.000000 |
| 0.450474 | -0.000003 | 0.000004 | 0.004577 | 0.417979 | 0.163461 | 1.155540 | -0.036738 | 2.621210 | 0.000000 |
| 0.193951 | 0.000001 | -0.000001 | 0.000293 | 0.408897 | -0.529356 | -0.032514 | 1.176610 | -1.817340 | 0.000000 |
| 0.081251 | -0.000001 | 0.000003 | -0.000023 | 0.204229 | -0.312858 | -0.626431 | -0.828874 | 0.505420 | 0.000000 |
| 0.031609 | 0.000000 | -0.000000 | 0.000019 | 0.027901 | -0.043276 | -0.091344 | -0.178809 | 0.368619 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
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