MOLPRO Basis Query, element=Es, basis=cc-pwCVTZ-DK3, l=s
Basis Es s cc-pwCVTZ-DK3
| Primitives | Contractions... |
|---|
| 55482100.000000 | -0.000538 | 0.003323 | 0.001268 | -0.000175 | 0.000189 | -0.000086 | 0.000033 | 0.000071 | -0.000095 | -0.000121 | 0.000000 | 0.000000 | 0.000000 |
| 14764732.000000 | -0.000448 | 0.002771 | 0.001056 | -0.000145 | 0.000157 | -0.000071 | 0.000027 | 0.000059 | -0.000079 | -0.000101 | 0.000000 | 0.000000 | 0.000000 |
| 5041832.500000 | -0.001302 | 0.008021 | 0.003065 | -0.000422 | 0.000457 | -0.000207 | 0.000079 | 0.000171 | -0.000230 | -0.000293 | 0.000000 | 0.000000 | 0.000000 |
| 1910849.100000 | -0.001549 | 0.009502 | 0.003639 | -0.000502 | 0.000543 | -0.000246 | 0.000093 | 0.000203 | -0.000274 | -0.000348 | 0.000000 | 0.000000 | 0.000000 |
| 794437.390000 | -0.003070 | 0.018656 | 0.007182 | -0.000992 | 0.001072 | -0.000486 | 0.000185 | 0.000402 | -0.000541 | -0.000688 | 0.000000 | 0.000000 | 0.000000 |
| 350225.810000 | -0.004090 | 0.024488 | 0.009504 | -0.001317 | 0.001421 | -0.000644 | 0.000245 | 0.000533 | -0.000717 | -0.000909 | 0.000000 | 0.000000 | 0.000000 |
| 162920.460000 | -0.007021 | 0.041217 | 0.016171 | -0.002250 | 0.002424 | -0.001098 | 0.000417 | 0.000908 | -0.001223 | -0.001561 | 0.000000 | 0.000000 | 0.000000 |
| 78899.046000 | -0.009785 | 0.055636 | 0.022222 | -0.003111 | 0.003343 | -0.001514 | 0.000575 | 0.001255 | -0.001686 | -0.002129 | 0.000000 | 0.000000 | 0.000000 |
| 39632.976000 | -0.015739 | 0.086088 | 0.035155 | -0.004963 | 0.005315 | -0.002408 | 0.000915 | 0.001988 | -0.002683 | -0.003450 | 0.000000 | 0.000000 | 0.000000 |
| 20502.237000 | -0.022326 | 0.114993 | 0.048639 | -0.006948 | 0.007405 | -0.003354 | 0.001275 | 0.002785 | -0.003732 | -0.004654 | 0.000000 | 0.000000 | 0.000000 |
| 10880.017000 | -0.034072 | 0.163471 | 0.072214 | -0.010484 | 0.011103 | -0.005031 | 0.001911 | 0.004138 | -0.005613 | -0.007356 | 0.000000 | 0.000000 | 0.000000 |
| 5891.286800 | -0.046141 | 0.200130 | 0.094254 | -0.013972 | 0.014668 | -0.006643 | 0.002526 | 0.005553 | -0.007383 | -0.008899 | 0.000000 | 0.000000 | 0.000000 |
| 3242.294500 | -0.058603 | 0.232240 | 0.116240 | -0.017628 | 0.018350 | -0.008316 | 0.003156 | 0.006761 | -0.009310 | -0.012920 | 0.000000 | 0.000000 | 0.000000 |
| 1807.452400 | -0.048107 | 0.197629 | 0.095502 | -0.014029 | 0.014777 | -0.006687 | 0.002550 | 0.005791 | -0.007358 | -0.007076 | 0.000000 | 0.000000 | 0.000000 |
| 1018.779300 | 0.013291 | 0.117105 | -0.009835 | 0.007308 | -0.005143 | 0.002327 | -0.000906 | -0.002483 | 0.002464 | -0.001518 | 0.000000 | 0.000000 | 0.000000 |
| 577.805700 | 0.148817 | 0.011960 | -0.267380 | 0.071025 | -0.061263 | 0.027872 | -0.010559 | -0.022050 | 0.031685 | 0.050436 | 0.000000 | 0.000000 | 0.000000 |
| 332.942020 | 0.244635 | -0.018228 | -0.554362 | 0.168269 | -0.140235 | 0.063820 | -0.024377 | -0.055435 | 0.071218 | 0.071681 | 0.000000 | 0.000000 | 0.000000 |
| 193.623500 | 0.187327 | -0.019602 | -0.533348 | 0.185194 | -0.151213 | 0.069303 | -0.026214 | -0.053245 | 0.079745 | 0.142490 | 0.000000 | 0.000000 | 0.000000 |
| 113.186250 | 0.135871 | -0.019917 | 0.048846 | -0.089671 | 0.062878 | -0.029717 | 0.011001 | 0.015741 | -0.036540 | -0.125934 | 0.000000 | 0.000000 | 0.000000 |
| 68.291017 | 0.228978 | -0.058132 | 0.695191 | -0.647251 | 0.508876 | -0.241962 | 0.093493 | 0.225190 | -0.286317 | -0.253845 | 0.000000 | 0.000000 | 0.000000 |
| 40.720951 | 0.176466 | -0.041244 | 0.585527 | -0.634864 | 0.502701 | -0.242326 | 0.091896 | 0.179296 | -0.295615 | -0.635287 | 0.000000 | 0.000000 | 0.000000 |
| 23.837714 | 0.043604 | -0.011536 | 0.077025 | 0.249843 | -0.234790 | 0.118478 | -0.043611 | -0.068267 | 0.222480 | 0.895192 | 0.000000 | 0.000000 | 0.000000 |
| 14.486601 | 0.002782 | 0.003007 | -0.128903 | 0.849532 | -1.159940 | 0.684420 | -0.275232 | -0.712174 | 0.842202 | 0.273455 | 0.000000 | 0.000000 | 0.000000 |
| 8.679207 | 0.001588 | -0.000271 | -0.062475 | 0.397315 | -0.629622 | 0.366266 | -0.139024 | -0.218497 | 0.567080 | 2.171240 | 1.000000 | 0.000000 | 0.000000 |
| 5.134641 | -0.000076 | 0.000726 | -0.006960 | 0.067955 | 0.711336 | -0.625975 | 0.253084 | 0.561652 | -1.436310 | -5.163060 | 0.000000 | 1.000000 | 0.000000 |
| 2.957842 | 0.000455 | -0.000430 | -0.000278 | 0.028002 | 0.825797 | -0.915407 | 0.415276 | 1.529470 | -2.123230 | -0.076921 | 0.000000 | 0.000000 | 0.000000 |
| 1.636618 | -0.000034 | 0.000188 | 0.000134 | 0.005825 | 0.196379 | -0.107750 | 0.023381 | -1.052300 | 3.108760 | 8.414650 | 0.000000 | 0.000000 | 0.000000 |
| 0.905434 | 0.000056 | -0.000109 | -0.000078 | 0.000531 | 0.027076 | 0.664291 | -0.331226 | -1.252250 | 1.793730 | -7.792750 | 0.000000 | 0.000000 | 0.000000 |
| 0.487301 | -0.000021 | 0.000050 | 0.000018 | 0.000151 | 0.021040 | 0.569398 | -0.453779 | -0.220805 | -3.748310 | -0.147135 | 0.000000 | 0.000000 | 0.000000 |
| 0.257675 | 0.000009 | -0.000018 | -0.000016 | 0.000065 | 0.004367 | 0.137142 | -0.152651 | 1.378930 | 0.371422 | 3.848730 | 0.000000 | 0.000000 | 0.000000 |
| 0.087976 | -0.000002 | 0.000005 | 0.000003 | -0.000008 | 0.000932 | 0.061944 | 0.460808 | 0.749067 | 2.038360 | -2.244310 | 0.000000 | 0.000000 | 0.000000 |
| 0.041680 | 0.000001 | -0.000003 | -0.000003 | -0.000001 | 0.000762 | 0.071755 | 0.590926 | -0.797097 | -0.806536 | -0.085257 | 0.000000 | 0.000000 | 0.000000 |
| 0.019599 | -0.000000 | 0.000001 | 0.000000 | -0.000002 | 0.000256 | 0.020108 | 0.162118 | -0.367763 | -0.581434 | 0.884439 | 0.000000 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
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