MOLPRO Basis Query, element=Es, basis=cc-pVQZ-DK3, l=p
Basis Es p cc-pVQZ-DK3
| Primitives | Contractions... |
|---|
| 78546265.000000 | 0.000023 | -0.000029 | 0.000001 | -0.000004 | 0.000002 | -0.000000 | -0.000001 | 0.000002 | 0.000003 | -0.000004 | 0.000000 |
| 30346600.000000 | 0.000009 | -0.000011 | 0.000001 | -0.000002 | 0.000001 | -0.000000 | -0.000001 | 0.000001 | 0.000001 | -0.000001 | 0.000000 |
| 11777413.000000 | 0.000056 | -0.000070 | 0.000004 | -0.000010 | 0.000005 | -0.000001 | -0.000004 | 0.000005 | 0.000008 | -0.000009 | 0.000000 |
| 4755841.200000 | 0.000067 | -0.000084 | 0.000004 | -0.000012 | 0.000005 | -0.000001 | -0.000004 | 0.000007 | 0.000009 | -0.000011 | 0.000000 |
| 1986038.700000 | 0.000160 | -0.000203 | 0.000010 | -0.000030 | 0.000013 | -0.000003 | -0.000010 | 0.000016 | 0.000023 | -0.000025 | 0.000000 |
| 853837.010000 | 0.000263 | -0.000333 | 0.000017 | -0.000049 | 0.000022 | -0.000005 | -0.000017 | 0.000026 | 0.000037 | -0.000042 | 0.000000 |
| 376095.320000 | 0.000530 | -0.000673 | 0.000034 | -0.000099 | 0.000044 | -0.000009 | -0.000035 | 0.000052 | 0.000075 | -0.000083 | 0.000000 |
| 169348.350000 | 0.000978 | -0.001244 | 0.000065 | -0.000184 | 0.000081 | -0.000017 | -0.000064 | 0.000097 | 0.000140 | -0.000161 | 0.000000 |
| 77932.763000 | 0.001941 | -0.002479 | 0.000130 | -0.000367 | 0.000162 | -0.000034 | -0.000129 | 0.000194 | 0.000278 | -0.000305 | 0.000000 |
| 36672.291000 | 0.003824 | -0.004910 | 0.000264 | -0.000730 | 0.000322 | -0.000068 | -0.000256 | 0.000385 | 0.000558 | -0.000647 | 0.000000 |
| 17653.710000 | 0.007818 | -0.010104 | 0.000556 | -0.001509 | 0.000665 | -0.000141 | -0.000531 | 0.000801 | 0.001143 | -0.001236 | 0.000000 |
| 8703.113700 | 0.016065 | -0.020969 | 0.001202 | -0.003158 | 0.001393 | -0.000296 | -0.001107 | 0.001663 | 0.002419 | -0.002849 | 0.000000 |
| 4401.317400 | 0.032993 | -0.043667 | 0.002629 | -0.006641 | 0.002928 | -0.000622 | -0.002338 | 0.003531 | 0.005020 | -0.005329 | 0.000000 |
| 2286.873300 | 0.064944 | -0.087810 | 0.005704 | -0.013583 | 0.005989 | -0.001273 | -0.004755 | 0.007139 | 0.010444 | -0.012572 | 0.000000 |
| 1220.617200 | 0.116725 | -0.162329 | 0.011494 | -0.025607 | 0.011287 | -0.002399 | -0.009031 | 0.013667 | 0.019301 | -0.019770 | 0.000000 |
| 667.813790 | 0.177539 | -0.255441 | 0.020052 | -0.041385 | 0.018245 | -0.003878 | -0.014443 | 0.021626 | 0.032114 | -0.040929 | 0.000000 |
| 373.652590 | 0.208023 | -0.293075 | 0.021163 | -0.046374 | 0.020431 | -0.004342 | -0.016497 | 0.025185 | 0.034148 | -0.027661 | 0.000000 |
| 212.631980 | 0.182799 | -0.140925 | -0.019641 | -0.005697 | 0.002505 | -0.000525 | -0.001446 | 0.001323 | 0.006075 | -0.029619 | 0.000000 |
| 122.625610 | 0.163511 | 0.221122 | -0.141468 | 0.107282 | -0.047588 | 0.010154 | 0.037296 | -0.055347 | -0.091451 | 0.154995 | 0.000000 |
| 72.207952 | 0.181756 | 0.511332 | -0.283614 | 0.227644 | -0.101238 | 0.021614 | 0.083811 | -0.131786 | -0.179639 | 0.120639 | 0.000000 |
| 42.660604 | 0.130419 | 0.372256 | -0.145677 | 0.115083 | -0.049879 | 0.010593 | 0.035300 | -0.045314 | -0.092334 | 0.267912 | 0.000000 |
| 25.077165 | 0.037234 | 0.014911 | 0.305838 | -0.245679 | 0.116970 | -0.025348 | -0.091375 | 0.139101 | 0.312902 | -0.775933 | 0.000000 |
| 14.967258 | 0.000171 | -0.153938 | 0.573257 | -0.558128 | 0.276680 | -0.060181 | -0.243978 | 0.397674 | 0.466725 | 0.136098 | 0.000000 |
| 8.915151 | -0.001490 | -0.087444 | 0.314173 | -0.208844 | 0.082895 | -0.017522 | -0.037820 | 0.010927 | 0.204746 | -1.403190 | 0.000000 |
| 5.226751 | -0.000236 | -0.013217 | 0.054531 | 0.475340 | -0.319883 | 0.072983 | 0.258487 | -0.433191 | -1.479150 | 4.949230 | 0.000000 |
| 3.013358 | 0.000211 | 0.003197 | -0.000004 | 0.584916 | -0.429660 | 0.101089 | 0.505802 | -0.984910 | -0.869853 | -4.609520 | 0.000000 |
| 1.693207 | 0.000064 | 0.001255 | -0.000776 | 0.223059 | -0.056604 | 0.008121 | -0.158738 | 1.000580 | 3.814640 | -0.944128 | 0.000000 |
| 0.913102 | 0.000019 | 0.000285 | -0.000204 | 0.037655 | 0.401629 | -0.112615 | -0.762952 | 1.215260 | -2.120110 | 5.691090 | 0.000000 |
| 0.483382 | -0.000001 | 0.000014 | 0.000035 | 0.016348 | 0.509060 | -0.166872 | -0.198774 | -1.002970 | -1.533680 | -5.449380 | 0.000000 |
| 0.250763 | 0.000003 | 0.000039 | -0.000002 | 0.007483 | 0.260788 | -0.121736 | 0.358454 | -0.937756 | 2.024750 | 1.760640 | 0.000000 |
| 0.118495 | -0.000001 | -0.000007 | 0.000011 | 0.001253 | 0.044142 | 0.122785 | 0.559953 | 0.584635 | 0.018048 | 1.145940 | 0.000000 |
| 0.057473 | 0.000000 | 0.000005 | -0.000003 | -0.000004 | 0.001249 | 0.456474 | 0.238733 | 0.518676 | -0.722360 | -1.074750 | 0.000000 |
| 0.027876 | -0.000000 | -0.000002 | 0.000002 | 0.000045 | 0.001241 | 0.455928 | 0.024729 | 0.031144 | -0.029289 | -0.042342 | 0.000000 |
| 0.013502 | 0.000000 | 0.000001 | -0.000001 | -0.000010 | -0.000230 | 0.120260 | 0.000162 | 0.005837 | -0.012956 | -0.024497 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)