MOLPRO Basis Query, element=Yb, basis=cc-pVQZ-DK3, l=s
Basis Yb s cc-pVQZ-DK3
| Primitives | Contractions... |
|---|
| 65973430.000000 | 0.000470 | -0.000256 | 0.000144 | -0.000035 | 0.000018 | -0.000008 | -0.000016 | 0.000024 | 0.000030 | -0.000029 | 0.000000 |
| 17573040.000000 | 0.000450 | -0.000245 | 0.000138 | -0.000034 | 0.000017 | -0.000007 | -0.000015 | 0.000023 | 0.000028 | -0.000028 | 0.000000 |
| 6036863.000000 | 0.001299 | -0.000707 | 0.000398 | -0.000098 | 0.000049 | -0.000021 | -0.000044 | 0.000066 | 0.000082 | -0.000081 | 0.000000 |
| 2314862.000000 | 0.001751 | -0.000955 | 0.000538 | -0.000132 | 0.000067 | -0.000029 | -0.000060 | 0.000090 | 0.000111 | -0.000110 | 0.000000 |
| 974980.000000 | 0.003476 | -0.001898 | 0.001071 | -0.000263 | 0.000132 | -0.000058 | -0.000119 | 0.000179 | 0.000220 | -0.000218 | 0.000000 |
| 435723.400000 | 0.005149 | -0.002820 | 0.001595 | -0.000392 | 0.000197 | -0.000086 | -0.000177 | 0.000266 | 0.000328 | -0.000328 | 0.000000 |
| 204702.000000 | 0.008993 | -0.004945 | 0.002804 | -0.000690 | 0.000347 | -0.000151 | -0.000311 | 0.000469 | 0.000577 | -0.000569 | 0.000000 |
| 99654.250000 | 0.013885 | -0.007683 | 0.004375 | -0.001079 | 0.000542 | -0.000236 | -0.000486 | 0.000730 | 0.000900 | -0.000909 | 0.000000 |
| 49983.320000 | 0.023163 | -0.012922 | 0.007400 | -0.001828 | 0.000919 | -0.000400 | -0.000824 | 0.001242 | 0.001531 | -0.001487 | 0.000000 |
| 25663.480000 | 0.036617 | -0.020696 | 0.011952 | -0.002961 | 0.001488 | -0.000648 | -0.001334 | 0.002001 | 0.002466 | -0.002535 | 0.000000 |
| 13440.700000 | 0.059739 | -0.034389 | 0.020100 | -0.005000 | 0.002512 | -0.001093 | -0.002255 | 0.003406 | 0.004200 | -0.003983 | 0.000000 |
| 7159.893000 | 0.093362 | -0.055342 | 0.032947 | -0.008248 | 0.004143 | -0.001803 | -0.003714 | 0.005559 | 0.006848 | -0.007256 | 0.000000 |
| 3875.356000 | 0.141493 | -0.087708 | 0.053672 | -0.013570 | 0.006812 | -0.002964 | -0.006120 | 0.009277 | 0.011457 | -0.010411 | 0.000000 |
| 2130.706000 | 0.191262 | -0.127578 | 0.081443 | -0.020909 | 0.010484 | -0.004563 | -0.009397 | 0.014001 | 0.017250 | -0.019394 | 0.000000 |
| 1189.890000 | 0.215938 | -0.160595 | 0.108778 | -0.028563 | 0.014308 | -0.006226 | -0.012886 | 0.019741 | 0.024459 | -0.019542 | 0.000000 |
| 674.297700 | 0.175011 | -0.145400 | 0.104326 | -0.028059 | 0.014026 | -0.006107 | -0.012538 | 0.018191 | 0.022343 | -0.032877 | 0.000000 |
| 387.242100 | 0.093772 | -0.037654 | 0.013108 | -0.002028 | 0.001071 | -0.000460 | -0.001077 | 0.003106 | 0.004136 | 0.018958 | 0.000000 |
| 224.814000 | 0.053858 | 0.158938 | -0.216304 | 0.073961 | -0.036669 | 0.015979 | 0.033606 | -0.054502 | -0.069194 | 0.019147 | 0.000000 |
| 133.621600 | 0.064780 | 0.292267 | -0.482622 | 0.184671 | -0.091303 | 0.039887 | 0.082535 | -0.118291 | -0.147871 | 0.265479 | 0.000000 |
| 81.281160 | 0.049426 | 0.229031 | -0.491501 | 0.209031 | -0.103627 | 0.045259 | 0.097324 | -0.165823 | -0.210776 | -0.029699 | 0.000000 |
| 50.939800 | 0.024623 | 0.113101 | -0.141756 | 0.059027 | -0.030382 | 0.013506 | 0.024343 | -0.005973 | -0.019682 | 0.518729 | 0.000000 |
| 32.280530 | 0.020361 | 0.132598 | 0.400832 | -0.330424 | 0.170380 | -0.075739 | -0.155526 | 0.186647 | 0.244016 | -1.070870 | 0.000000 |
| 20.394680 | 0.024869 | 0.161937 | 0.637198 | -0.690061 | 0.371233 | -0.165745 | -0.399487 | 0.774145 | 1.250760 | -0.629528 | 0.000000 |
| 12.503240 | 0.012428 | 0.085332 | 0.335352 | -0.349129 | 0.178011 | -0.079239 | -0.154095 | 0.121126 | -0.012852 | -0.792328 | 0.000000 |
| 7.287446 | 0.001840 | 0.010293 | 0.024952 | 0.449650 | -0.289879 | 0.134158 | 0.420533 | -0.873612 | -2.103800 | 6.002720 | 0.000000 |
| 4.321000 | -0.000607 | -0.004015 | -0.041655 | 0.706366 | -0.596272 | 0.289226 | 0.799655 | -1.667740 | -2.599160 | -3.653710 | 0.000000 |
| 2.524672 | -0.000138 | -0.001839 | -0.017399 | 0.297789 | -0.373609 | 0.192414 | 0.279116 | 0.955217 | 6.943970 | -6.750620 | 0.000000 |
| 1.426747 | -0.000081 | -0.000275 | -0.002935 | 0.050361 | 0.206847 | -0.124395 | -1.320520 | 2.728400 | -1.643650 | 11.226700 | 0.000000 |
| 0.794857 | 0.000016 | -0.000113 | -0.000859 | 0.035484 | 0.574196 | -0.348933 | -0.641283 | -0.957224 | -4.811290 | -4.222180 | 0.000000 |
| 0.443286 | -0.000024 | -0.000063 | -0.000770 | 0.024318 | 0.388807 | -0.361771 | 0.239664 | -2.121710 | 2.682810 | -4.503130 | 0.000000 |
| 0.244489 | 0.000006 | -0.000017 | -0.000096 | 0.005079 | 0.072999 | -0.162272 | 0.793817 | 0.196430 | 1.955150 | 4.575700 | 0.000000 |
| 0.117234 | -0.000004 | -0.000001 | -0.000047 | 0.001240 | 0.044399 | 0.195223 | 0.758326 | 1.477280 | -1.346250 | 0.998134 | 0.000000 |
| 0.061912 | 0.000002 | -0.000006 | -0.000034 | 0.002545 | 0.103990 | 0.508286 | -0.125787 | 0.281482 | -1.043170 | -3.087620 | 0.000000 |
| 0.032038 | -0.000001 | -0.000004 | -0.000045 | 0.002150 | 0.087320 | 0.427284 | -0.588216 | -0.640950 | 0.573937 | 0.575613 | 0.000000 |
| 0.016394 | 0.000000 | -0.000001 | -0.000006 | 0.000392 | 0.016034 | 0.079048 | -0.256029 | -0.373014 | 0.458759 | 0.819788 | 1.000000 |
Comment: Q. Lu and K.A. Peterson, J. Chem. Phys. 145, 054111 (2016)