MOLPRO Basis Query, element=Lr, basis=cc-pVQZ-DK3, l=s
Basis Lr s cc-pVQZ-DK3
| Primitives | Contractions... |
|---|
| 54611196.000000 | -0.001230 | 0.004164 | 0.001671 | -0.000231 | 0.000262 | -0.000117 | 0.000056 | 0.000108 | -0.000136 | 0.000175 | -0.000195 | 0.000000 |
| 14530232.000000 | -0.000997 | 0.003381 | 0.001355 | -0.000187 | 0.000212 | -0.000095 | 0.000045 | 0.000088 | -0.000110 | 0.000142 | -0.000158 | 0.000000 |
| 4956870.300000 | -0.002901 | 0.009808 | 0.003940 | -0.000545 | 0.000618 | -0.000275 | 0.000132 | 0.000255 | -0.000320 | 0.000413 | -0.000460 | 0.000000 |
| 1874868.100000 | -0.003350 | 0.011301 | 0.004550 | -0.000630 | 0.000714 | -0.000318 | 0.000153 | 0.000295 | -0.000370 | 0.000478 | -0.000532 | 0.000000 |
| 777795.310000 | -0.006630 | 0.022229 | 0.009002 | -0.001248 | 0.001414 | -0.000630 | 0.000303 | 0.000584 | -0.000733 | 0.000946 | -0.001053 | 0.000000 |
| 342155.720000 | -0.008507 | 0.028258 | 0.011544 | -0.001606 | 0.001817 | -0.000810 | 0.000389 | 0.000751 | -0.000942 | 0.001216 | -0.001352 | 0.000000 |
| 159090.620000 | -0.014529 | 0.047658 | 0.019701 | -0.002753 | 0.003108 | -0.001385 | 0.000665 | 0.001285 | -0.001611 | 0.002078 | -0.002319 | 0.000000 |
| 77212.229000 | -0.018957 | 0.060896 | 0.025675 | -0.003614 | 0.004067 | -0.001813 | 0.000871 | 0.001681 | -0.002110 | 0.002727 | -0.003021 | 0.000000 |
| 39128.738000 | -0.030200 | 0.094786 | 0.040857 | -0.005798 | 0.006503 | -0.002899 | 0.001392 | 0.002689 | -0.003368 | 0.004337 | -0.004876 | 0.000000 |
| 20704.812000 | -0.035936 | 0.108197 | 0.048529 | -0.006980 | 0.007782 | -0.003468 | 0.001666 | 0.003217 | -0.004053 | 0.005272 | -0.005699 | 0.000000 |
| 11702.094000 | -0.052514 | 0.153802 | 0.070891 | -0.010318 | 0.011455 | -0.005108 | 0.002454 | 0.004740 | -0.005873 | 0.007415 | -0.008985 | 0.000000 |
| 7578.654700 | -0.025607 | 0.067372 | 0.034394 | -0.005122 | 0.005612 | -0.002496 | 0.001198 | 0.002309 | -0.003131 | 0.004578 | -0.002816 | 0.000000 |
| 5329.101000 | -0.066162 | 0.183154 | 0.089318 | -0.013326 | 0.014664 | -0.006545 | 0.003146 | 0.006084 | -0.007234 | 0.008429 | -0.013280 | 0.000000 |
| 3425.154200 | -0.052605 | 0.132095 | 0.070579 | -0.010649 | 0.011603 | -0.005161 | 0.002475 | 0.004773 | -0.006525 | 0.009653 | -0.005570 | 0.000000 |
| 2153.136100 | -0.067458 | 0.186579 | 0.090173 | -0.013248 | 0.014695 | -0.006565 | 0.003158 | 0.006110 | -0.006913 | 0.007198 | -0.015250 | 0.000000 |
| 1341.635300 | -0.010288 | 0.090589 | 0.007659 | 0.002462 | -0.001144 | 0.000538 | -0.000267 | -0.000544 | -0.000389 | 0.002960 | 0.007239 | 0.000000 |
| 832.006760 | 0.064507 | 0.073557 | -0.116774 | 0.032606 | -0.028835 | 0.012854 | -0.006170 | -0.011954 | 0.016672 | -0.025399 | 0.013491 | 0.000000 |
| 503.970390 | 0.196690 | -0.000580 | -0.383099 | 0.108152 | -0.096214 | 0.043114 | -0.020754 | -0.040298 | 0.048342 | -0.057434 | 0.088465 | 0.000000 |
| 305.939620 | 0.215471 | 0.019388 | -0.533452 | 0.173124 | -0.148623 | 0.066581 | -0.032013 | -0.062241 | 0.082947 | -0.118289 | 0.094600 | 0.000000 |
| 187.046300 | 0.150596 | -0.008087 | -0.378408 | 0.129678 | -0.112512 | 0.050962 | -0.024606 | -0.047848 | 0.052703 | -0.051786 | 0.129751 | 0.000000 |
| 115.876460 | 0.133293 | -0.000192 | 0.198171 | -0.182442 | 0.144039 | -0.067007 | 0.032541 | 0.063606 | -0.066343 | 0.054058 | -0.187556 | 0.000000 |
| 72.725610 | 0.218937 | -0.036471 | 0.655958 | -0.633577 | 0.525642 | -0.247410 | 0.119966 | 0.242019 | -0.345194 | 0.560380 | -0.521734 | 0.000000 |
| 45.063374 | 0.153703 | -0.012942 | 0.530146 | -0.560059 | 0.467421 | -0.222540 | 0.108453 | 0.214843 | -0.234350 | 0.192003 | -0.459359 | 0.000000 |
| 27.241206 | 0.047422 | -0.011856 | 0.078116 | 0.202667 | -0.202466 | 0.099718 | -0.049070 | -0.124256 | 0.146338 | -0.196975 | 1.120760 | 0.000000 |
| 17.520319 | 0.000090 | 0.007756 | -0.104791 | 0.735357 | -1.036060 | 0.610892 | -0.307007 | -0.627760 | 0.928182 | -1.493720 | 0.259373 | 0.000000 |
| 11.308539 | 0.006276 | -0.004623 | -0.073487 | 0.447603 | -0.782519 | 0.466515 | -0.235667 | -0.523152 | 0.532703 | -0.292457 | 3.170550 | 0.000000 |
| 7.246186 | -0.002433 | 0.004061 | -0.014696 | 0.127521 | 0.227910 | -0.236217 | 0.127668 | 0.362182 | -0.274115 | -0.291435 | -5.943110 | 0.000000 |
| 4.653011 | 0.002049 | -0.002493 | -0.004033 | 0.046532 | 0.810334 | -0.781367 | 0.422996 | 1.190520 | -2.780310 | 8.503410 | -6.133440 | 0.000000 |
| 2.892359 | -0.000784 | 0.001264 | 0.000276 | 0.028232 | 0.525380 | -0.625383 | 0.359101 | 0.942576 | -0.074453 | -9.173270 | 20.482300 | 0.000000 |
| 1.704026 | 0.000505 | -0.000665 | -0.000699 | 0.004982 | 0.115080 | 0.100090 | -0.077074 | -1.695790 | 4.150240 | -2.264780 | -16.892900 | 0.000000 |
| 0.989061 | -0.000244 | 0.000347 | 0.000261 | 0.001045 | 0.030342 | 0.623288 | -0.432725 | -1.154510 | -0.273514 | 8.297850 | 0.166542 | 0.000000 |
| 0.566307 | 0.000133 | -0.000182 | -0.000198 | 0.000393 | 0.022631 | 0.468857 | -0.494412 | 0.262625 | -3.333270 | -1.829170 | 11.274200 | 0.000000 |
| 0.319333 | -0.000059 | 0.000083 | 0.000068 | 0.000175 | 0.004904 | 0.105372 | -0.209030 | 1.171590 | 0.072387 | -4.437660 | -8.324500 | 0.000000 |
| 0.156470 | 0.000026 | -0.000036 | -0.000035 | -0.000012 | 0.001372 | 0.067408 | 0.319610 | 0.814192 | 2.405800 | 2.769030 | -0.147946 | 0.000000 |
| 0.081217 | -0.000013 | 0.000019 | 0.000015 | 0.000020 | 0.001632 | 0.111021 | 0.593643 | -0.529640 | -0.244007 | 0.869054 | 3.565850 | 0.000000 |
| 0.042028 | 0.000006 | -0.000008 | -0.000008 | -0.000000 | 0.000988 | 0.061776 | 0.328885 | -0.510920 | -0.778742 | -0.992409 | -1.465870 | 0.000000 |
| 0.021714 | -0.000001 | 0.000002 | 0.000002 | 0.000002 | 0.000121 | 0.008349 | 0.044941 | -0.126686 | -0.217485 | -0.244101 | -0.430905 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)