MOLPRO Basis Query, element=Es, basis=cc-pwCVTZ-X2C, l=p
Basis Es p cc-pwCVTZ-X2C
| Primitives | Contractions... |
|---|
| 56971843.000000 | 0.000019 | -0.000024 | 0.000001 | -0.000003 | 0.000002 | -0.000000 | -0.000001 | -0.000002 | -0.000003 | 0.000000 | 0.000000 | 0.000000 |
| 17786195.000000 | 0.000020 | -0.000026 | 0.000001 | -0.000004 | 0.000002 | -0.000000 | -0.000001 | -0.000002 | -0.000003 | 0.000000 | 0.000000 | 0.000000 |
| 5887595.700000 | 0.000068 | -0.000087 | 0.000004 | -0.000013 | 0.000006 | -0.000001 | -0.000004 | -0.000007 | -0.000010 | 0.000000 | 0.000000 | 0.000000 |
| 2071034.500000 | 0.000128 | -0.000164 | 0.000008 | -0.000024 | 0.000011 | -0.000002 | -0.000008 | -0.000013 | -0.000018 | 0.000000 | 0.000000 | 0.000000 |
| 764479.240000 | 0.000301 | -0.000385 | 0.000020 | -0.000057 | 0.000025 | -0.000005 | -0.000020 | -0.000030 | -0.000043 | 0.000000 | 0.000000 | 0.000000 |
| 294055.280000 | 0.000638 | -0.000818 | 0.000042 | -0.000121 | 0.000053 | -0.000011 | -0.000042 | -0.000064 | -0.000091 | 0.000000 | 0.000000 | 0.000000 |
| 117338.370000 | 0.001434 | -0.001844 | 0.000097 | -0.000273 | 0.000120 | -0.000026 | -0.000096 | -0.000145 | -0.000209 | 0.000000 | 0.000000 | 0.000000 |
| 48476.383000 | 0.003202 | -0.004134 | 0.000221 | -0.000614 | 0.000271 | -0.000058 | -0.000215 | -0.000324 | -0.000461 | 0.000000 | 0.000000 | 0.000000 |
| 20734.208000 | 0.007358 | -0.009559 | 0.000523 | -0.001427 | 0.000629 | -0.000134 | -0.000501 | -0.000758 | -0.001102 | 0.000000 | 0.000000 | 0.000000 |
| 9195.735800 | 0.016963 | -0.022251 | 0.001265 | -0.003346 | 0.001476 | -0.000314 | -0.001172 | -0.001762 | -0.002498 | 0.000000 | 0.000000 | 0.000000 |
| 4235.692900 | 0.038645 | -0.051488 | 0.003098 | -0.007832 | 0.003455 | -0.000734 | -0.002752 | -0.004170 | -0.006100 | 0.000000 | 0.000000 | 0.000000 |
| 2026.416700 | 0.082549 | -0.112682 | 0.007376 | -0.017466 | 0.007699 | -0.001636 | -0.006114 | -0.009175 | -0.012918 | 0.000000 | 0.000000 | 0.000000 |
| 1004.045000 | 0.153977 | -0.217504 | 0.015808 | -0.034543 | 0.015235 | -0.003239 | -0.012153 | -0.018476 | -0.027374 | 0.000000 | 0.000000 | 0.000000 |
| 513.005780 | 0.222890 | -0.324427 | 0.025743 | -0.052735 | 0.023229 | -0.004938 | -0.018409 | -0.027440 | -0.037523 | 0.000000 | 0.000000 | 0.000000 |
| 269.942350 | 0.221200 | -0.264366 | 0.006459 | -0.034744 | 0.015351 | -0.003262 | -0.012390 | -0.019516 | -0.032844 | 0.000000 | 0.000000 | 0.000000 |
| 145.568720 | 0.181448 | 0.105590 | -0.103943 | 0.071337 | -0.031698 | 0.006770 | 0.025979 | 0.041740 | 0.073123 | 0.000000 | 0.000000 | 0.000000 |
| 80.404383 | 0.200843 | 0.531936 | -0.293834 | 0.236255 | -0.104853 | 0.022379 | 0.083476 | 0.123719 | 0.160495 | 0.000000 | 0.000000 | 0.000000 |
| 44.990879 | 0.154920 | 0.445709 | -0.197045 | 0.155930 | -0.068742 | 0.014657 | 0.056669 | 0.093697 | 0.182427 | 0.000000 | 0.000000 | 0.000000 |
| 24.974973 | 0.041029 | 0.013879 | 0.345540 | -0.279029 | 0.134180 | -0.029137 | -0.117281 | -0.209140 | -0.455483 | 0.000000 | 0.000000 | 0.000000 |
| 14.067227 | -0.001592 | -0.172524 | 0.627830 | -0.620160 | 0.305427 | -0.066354 | -0.246035 | -0.347273 | -0.319905 | 0.000000 | 0.000000 | 0.000000 |
| 7.876668 | -0.001319 | -0.071745 | 0.260343 | -0.044886 | -0.010456 | 0.003072 | 0.008914 | -0.017399 | -0.284193 | 1.000000 | 0.000000 | 0.000000 |
| 4.311540 | -0.000040 | -0.003236 | 0.022008 | 0.676425 | -0.467468 | 0.108018 | 0.462621 | 0.958180 | 2.736130 | 0.000000 | 0.000000 | 0.000000 |
| 2.299340 | 0.000214 | 0.003059 | -0.001293 | 0.478047 | -0.328826 | 0.076206 | 0.308464 | 0.170070 | -2.694710 | 0.000000 | 0.000000 | 0.000000 |
| 1.135508 | 0.000012 | 0.000467 | -0.000510 | 0.088237 | 0.289222 | -0.082982 | -0.740527 | -1.829530 | -0.668766 | 0.000000 | 0.000000 | 0.000000 |
| 0.561329 | 0.000013 | 0.000095 | 0.000068 | 0.017567 | 0.590187 | -0.181171 | -0.457357 | 0.667637 | 3.143580 | 0.000000 | 0.000000 | 0.000000 |
| 0.268404 | -0.000003 | 0.000014 | -0.000018 | 0.010649 | 0.333916 | -0.150942 | 0.419795 | 1.170850 | -2.349100 | 0.000000 | 0.000000 | 0.000000 |
| 0.108045 | 0.000002 | 0.000008 | 0.000017 | 0.000918 | 0.045745 | 0.189027 | 0.635422 | -0.733486 | 0.179577 | 0.000000 | 0.000000 | 0.000000 |
| 0.045947 | -0.000001 | -0.000003 | -0.000006 | 0.000093 | -0.001557 | 0.614014 | 0.169295 | -0.402617 | 0.623487 | 0.000000 | 0.000000 | 0.000000 |
| 0.019023 | 0.000000 | 0.000001 | 0.000002 | -0.000015 | 0.001021 | 0.350560 | 0.003385 | 0.009494 | -0.031797 | 0.000000 | 1.000000 | 0.000000 |
| 4.979846 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
| 