MOLPRO Basis Query, element=Lr, basis=cc-pVDZ-DK3, l=s
Basis Lr s cc-pVDZ-DK3
| Primitives | Contractions... |
|---|
| 54369989.000000 | -0.000003 | 0.004341 | 0.001675 | -0.000206 | 0.000287 | -0.000117 | 0.000054 | -0.000110 | 0.000000 |
| 14402007.000000 | -0.000001 | 0.003635 | 0.001401 | -0.000173 | 0.000240 | -0.000098 | 0.000045 | -0.000092 | 0.000000 |
| 4859916.600000 | -0.000010 | 0.010309 | 0.003983 | -0.000491 | 0.000683 | -0.000279 | 0.000128 | -0.000261 | 0.000000 |
| 1800806.300000 | -0.000021 | 0.012831 | 0.004969 | -0.000613 | 0.000853 | -0.000348 | 0.000160 | -0.000326 | 0.000000 |
| 719461.110000 | -0.000085 | 0.024848 | 0.009676 | -0.001197 | 0.001663 | -0.000679 | 0.000313 | -0.000636 | 0.000000 |
| 299493.540000 | -0.000223 | 0.035821 | 0.014080 | -0.001748 | 0.002425 | -0.000990 | 0.000456 | -0.000924 | 0.000000 |
| 129051.210000 | -0.000640 | 0.060582 | 0.024134 | -0.003014 | 0.004169 | -0.001701 | 0.000784 | -0.001596 | 0.000000 |
| 57019.624000 | -0.001607 | 0.090901 | 0.037046 | -0.004662 | 0.006432 | -0.002626 | 0.001210 | -0.002446 | 0.000000 |
| 25782.110000 | -0.004002 | 0.142368 | 0.059863 | -0.007641 | 0.010467 | -0.004269 | 0.001967 | -0.004022 | 0.000000 |
| 11897.659000 | -0.009097 | 0.203510 | 0.090021 | -0.011683 | 0.015918 | -0.006497 | 0.002994 | -0.006007 | 0.000000 |
| 5598.286300 | -0.017966 | 0.269752 | 0.126785 | -0.016933 | 0.022734 | -0.009260 | 0.004263 | -0.008846 | 0.000000 |
| 2684.095600 | -0.021709 | 0.275371 | 0.133935 | -0.017796 | 0.024082 | -0.009838 | 0.004541 | -0.008761 | 0.000000 |
| 1311.541600 | 0.025854 | 0.166962 | 0.018305 | 0.002537 | -0.000821 | 0.000343 | -0.000183 | -0.000726 | 0.000000 |
| 641.517370 | 0.188170 | -0.011647 | -0.344163 | 0.085434 | -0.092231 | 0.037284 | -0.017138 | 0.037755 | 0.000000 |
| 326.742910 | 0.277408 | -0.073373 | -0.718610 | 0.206385 | -0.217881 | 0.088727 | -0.041119 | 0.077296 | 0.000000 |
| 170.992380 | 0.172411 | -0.048984 | -0.360673 | 0.105032 | -0.108676 | 0.043870 | -0.019902 | 0.055436 | 0.000000 |
| 87.402079 | 0.247087 | -0.100625 | 0.693465 | -0.590618 | 0.567211 | -0.239251 | 0.110453 | -0.263032 | 0.000000 |
| 46.928432 | 0.213126 | -0.090141 | 0.723225 | -0.689916 | 0.716685 | -0.316191 | 0.149270 | -0.255297 | 0.000000 |
| 22.670645 | 0.036224 | -0.013371 | 0.002815 | 0.549410 | -0.818989 | 0.425080 | -0.205968 | 0.356245 | 0.000000 |
| 12.590422 | -0.001721 | 0.002509 | -0.135501 | 0.706889 | -1.344930 | 0.775713 | -0.371037 | 1.004710 | 0.000000 |
| 5.665295 | 0.002077 | -0.000516 | -0.015940 | 0.210628 | 0.792749 | -0.824895 | 0.419650 | -1.599420 | 0.000000 |
| 2.976385 | -0.000106 | 0.000050 | -0.003778 | 0.098314 | 0.812875 | -0.833136 | 0.460606 | -0.451247 | 0.000000 |
| 1.072106 | 0.000228 | -0.000073 | -0.000419 | 0.013561 | 0.084359 | 0.764013 | -0.544138 | 2.979420 | 0.000000 |
| 0.485182 | -0.000065 | 0.000022 | -0.000114 | 0.000603 | 0.017048 | 0.564678 | -0.572032 | -2.118450 | 0.000000 |
| 0.098183 | 0.000019 | -0.000006 | -0.000013 | 0.000684 | 0.003856 | 0.154460 | 0.793507 | -0.701248 | 0.000000 |
| 0.039483 | -0.000008 | 0.000003 | -0.000004 | -0.000115 | 0.000226 | 0.066183 | 0.417889 | 1.088530 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)