MOLPRO Basis Query, element=Yb, basis=cc-pVQZ-X2C, l=s
Basis Yb s cc-pVQZ-X2C
Primitives | Contractions... |
65973430.000000 | 0.000607 | -0.000308 | 0.000185 | -0.000045 | 0.000023 | -0.000010 | -0.000016 | 0.000024 | 0.000030 | -0.000029 | 0.000000 |
17573040.000000 | 0.000465 | -0.000236 | 0.000142 | -0.000035 | 0.000018 | -0.000008 | -0.000015 | 0.000023 | 0.000028 | -0.000028 | 0.000000 |
6036863.000000 | 0.001447 | -0.000734 | 0.000441 | -0.000108 | 0.000055 | -0.000024 | -0.000044 | 0.000066 | 0.000082 | -0.000081 | 0.000000 |
2314862.000000 | 0.001683 | -0.000855 | 0.000514 | -0.000127 | 0.000064 | -0.000028 | -0.000060 | 0.000090 | 0.000111 | -0.000110 | 0.000000 |
974980.000000 | 0.003527 | -0.001793 | 0.001080 | -0.000266 | 0.000134 | -0.000058 | -0.000119 | 0.000179 | 0.000220 | -0.000218 | 0.000000 |
435723.400000 | 0.004811 | -0.002456 | 0.001482 | -0.000365 | 0.000184 | -0.000080 | -0.000177 | 0.000266 | 0.000328 | -0.000328 | 0.000000 |
204702.000000 | 0.008760 | -0.004486 | 0.002712 | -0.000669 | 0.000336 | -0.000146 | -0.000311 | 0.000469 | 0.000578 | -0.000569 | 0.000000 |
99654.250000 | 0.013127 | -0.006770 | 0.004110 | -0.001015 | 0.000510 | -0.000222 | -0.000486 | 0.000731 | 0.000900 | -0.000909 | 0.000000 |
49983.320000 | 0.022687 | -0.011788 | 0.007187 | -0.001778 | 0.000894 | -0.000389 | -0.000824 | 0.001242 | 0.001531 | -0.001488 | 0.000000 |
25663.480000 | 0.035910 | -0.018909 | 0.011616 | -0.002882 | 0.001448 | -0.000630 | -0.001334 | 0.002002 | 0.002466 | -0.002536 | 0.000000 |
13440.700000 | 0.060171 | -0.032235 | 0.019997 | -0.004980 | 0.002502 | -0.001089 | -0.002255 | 0.003406 | 0.004201 | -0.003984 | 0.000000 |
7159.893000 | 0.094644 | -0.052207 | 0.032910 | -0.008246 | 0.004141 | -0.001802 | -0.003714 | 0.005559 | 0.006849 | -0.007257 | 0.000000 |
3875.356000 | 0.145021 | -0.083630 | 0.053996 | -0.013659 | 0.006857 | -0.002984 | -0.006120 | 0.009278 | 0.011458 | -0.010412 | 0.000000 |
2130.706000 | 0.195820 | -0.121744 | 0.081663 | -0.020974 | 0.010517 | -0.004577 | -0.009398 | 0.014002 | 0.017252 | -0.019396 | 0.000000 |
1189.890000 | 0.221806 | -0.154064 | 0.109041 | -0.028641 | 0.014347 | -0.006243 | -0.012887 | 0.019743 | 0.024460 | -0.019545 | 0.000000 |
674.297700 | 0.179519 | -0.139698 | 0.104275 | -0.028057 | 0.014025 | -0.006107 | -0.012539 | 0.018193 | 0.022346 | -0.032880 | 0.000000 |
387.242100 | 0.095278 | -0.034804 | 0.013220 | -0.002057 | 0.001086 | -0.000467 | -0.001077 | 0.003106 | 0.004135 | 0.018959 | 0.000000 |
224.814000 | 0.048418 | 0.160843 | -0.216345 | 0.073986 | -0.036681 | 0.015984 | 0.033608 | -0.054506 | -0.069196 | 0.019154 | 0.000000 |
133.621600 | 0.055672 | 0.294221 | -0.482388 | 0.184635 | -0.091284 | 0.039880 | 0.082541 | -0.118304 | -0.147890 | 0.265504 | 0.000000 |
81.281160 | 0.041701 | 0.230935 | -0.491609 | 0.209087 | -0.103654 | 0.045272 | 0.097332 | -0.165835 | -0.210777 | -0.029678 | 0.000000 |
50.939800 | 0.021303 | 0.113698 | -0.141649 | 0.059034 | -0.030385 | 0.013508 | 0.024343 | -0.005981 | -0.019720 | 0.518759 | 0.000000 |
32.280530 | 0.015772 | 0.133202 | 0.400685 | -0.330317 | 0.170321 | -0.075714 | -0.155538 | 0.186685 | 0.244116 | -1.071030 | 0.000000 |
20.394680 | 0.019788 | 0.162284 | 0.637398 | -0.690092 | 0.371238 | -0.165751 | -0.399539 | 0.774235 | 1.250880 | -0.629864 | 0.000000 |
12.503240 | 0.009532 | 0.085654 | 0.335382 | -0.349211 | 0.178056 | -0.079260 | -0.154088 | 0.121105 | -0.013003 | -0.791478 | 0.000000 |
7.287446 | 0.001577 | 0.010292 | 0.025024 | 0.449540 | -0.289786 | 0.134116 | 0.420630 | -0.873886 | -2.104350 | 6.002910 | 0.000000 |
4.321000 | -0.000520 | -0.003985 | -0.041695 | 0.706414 | -0.596263 | 0.289224 | 0.799705 | -1.667650 | -2.598160 | -3.655880 | 0.000000 |
2.524672 | -0.000050 | -0.001856 | -0.017384 | 0.297833 | -0.373671 | 0.192446 | 0.278990 | 0.955649 | 6.943840 | -6.748170 | 0.000000 |
1.426747 | -0.000088 | -0.000265 | -0.002949 | 0.050378 | 0.206748 | -0.124335 | -1.320600 | 2.728060 | -1.644530 | 11.226200 | 0.000000 |
0.794857 | 0.000029 | -0.000119 | -0.000851 | 0.035479 | 0.574182 | -0.348905 | -0.641206 | -0.957412 | -4.810680 | -4.223380 | 0.000000 |
0.443286 | -0.000027 | -0.000060 | -0.000775 | 0.024325 | 0.388862 | -0.361785 | 0.239734 | -2.121530 | 2.683000 | -4.501970 | 0.000000 |
0.244489 | 0.000010 | -0.000019 | -0.000094 | 0.005079 | 0.073012 | -0.162347 | 0.793790 | 0.196529 | 1.954910 | 4.575530 | 0.000000 |
0.117234 | -0.000006 | -0.000000 | -0.000049 | 0.001241 | 0.044388 | 0.195146 | 0.758275 | 1.477250 | -1.346340 | 0.997779 | 0.000000 |
0.061912 | 0.000003 | -0.000007 | -0.000033 | 0.002545 | 0.104000 | 0.508271 | -0.125797 | 0.281431 | -1.043040 | -3.087390 | 0.000000 |
0.032038 | -0.000002 | -0.000004 | -0.000045 | 0.002150 | 0.087342 | 0.427342 | -0.588191 | -0.640951 | 0.573932 | 0.575616 | 0.000000 |
0.016394 | 0.000000 | -0.000001 | -0.000006 | 0.000392 | 0.016042 | 0.079080 | -0.256016 | -0.373002 | 0.458739 | 0.819750 | 1.000000 |
Comment: Q. Lu and K.A. Peterson, J. Chem. Phys. 145, 054111 (2016)