MOLPRO Basis Query, element=La, basis=cc-pVQZ-DK3, l=p
Basis La p cc-pVQZ-DK3
Primitives | Contractions... |
39914070.000000 | 0.000003 | -0.000002 | 0.000001 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | -0.000001 | 0.000000 |
8993620.000000 | 0.000006 | -0.000005 | 0.000001 | -0.000001 | 0.000000 | 0.000001 | 0.000001 | 0.000001 | -0.000001 | 0.000000 |
2402647.000000 | 0.000016 | -0.000013 | 0.000003 | -0.000002 | 0.000000 | 0.000002 | 0.000002 | 0.000003 | -0.000003 | 0.000000 |
721679.400000 | 0.000039 | -0.000031 | 0.000008 | -0.000004 | 0.000001 | 0.000004 | 0.000005 | 0.000006 | -0.000008 | 0.000000 |
237257.600000 | 0.000096 | -0.000078 | 0.000020 | -0.000011 | 0.000003 | 0.000009 | 0.000012 | 0.000017 | -0.000020 | 0.000000 |
84108.070000 | 0.000241 | -0.000194 | 0.000051 | -0.000027 | 0.000007 | 0.000023 | 0.000029 | 0.000040 | -0.000046 | 0.000000 |
31936.670000 | 0.000623 | -0.000503 | 0.000132 | -0.000069 | 0.000018 | 0.000060 | 0.000077 | 0.000113 | -0.000136 | 0.000000 |
12957.230000 | 0.001644 | -0.001333 | 0.000351 | -0.000184 | 0.000048 | 0.000159 | 0.000201 | 0.000263 | -0.000299 | 0.000000 |
5601.076000 | 0.004421 | -0.003597 | 0.000950 | -0.000499 | 0.000129 | 0.000429 | 0.000554 | 0.000843 | -0.001021 | 0.000000 |
2565.430000 | 0.011818 | -0.009685 | 0.002571 | -0.001349 | 0.000350 | 0.001165 | 0.001472 | 0.001860 | -0.002083 | 0.000000 |
1235.564000 | 0.030436 | -0.025240 | 0.006760 | -0.003547 | 0.000920 | 0.003048 | 0.003950 | 0.006153 | -0.007545 | 0.000000 |
620.987000 | 0.071829 | -0.060855 | 0.016545 | -0.008672 | 0.002248 | 0.007495 | 0.009453 | 0.011604 | -0.012837 | 0.000000 |
323.315200 | 0.145861 | -0.127538 | 0.035446 | -0.018565 | 0.004819 | 0.015957 | 0.020831 | 0.033753 | -0.042191 | 0.000000 |
173.029200 | 0.235564 | -0.215093 | 0.061597 | -0.032210 | 0.008355 | 0.027915 | 0.034855 | 0.038364 | -0.039589 | 0.000000 |
94.708220 | 0.270010 | -0.249952 | 0.072248 | -0.037788 | 0.009824 | 0.032340 | 0.043587 | 0.086028 | -0.114122 | 0.000000 |
52.498210 | 0.197483 | -0.096963 | 0.008343 | -0.004532 | 0.001082 | 0.004333 | 0.000091 | -0.058299 | 0.107469 | 0.000000 |
29.370620 | 0.118489 | 0.228862 | -0.146368 | 0.075855 | -0.019914 | -0.069086 | -0.082790 | -0.003956 | -0.056590 | 0.000000 |
16.839600 | 0.108553 | 0.455924 | -0.303724 | 0.161484 | -0.043124 | -0.140386 | -0.205590 | -0.566856 | 0.882057 | 0.000000 |
9.860389 | 0.073603 | 0.327885 | -0.202343 | 0.101687 | -0.026197 | -0.103327 | -0.108185 | 0.371479 | -0.952325 | 0.000000 |
5.772019 | 0.021731 | 0.089231 | 0.198369 | -0.128454 | 0.036373 | 0.169409 | 0.262171 | -0.345967 | 1.162840 | 0.000000 |
3.272785 | 0.000609 | -0.014003 | 0.513074 | -0.340190 | 0.100515 | 0.285608 | 0.425679 | 2.183370 | -5.110050 | 0.000000 |
1.844231 | -0.001107 | -0.017292 | 0.371956 | -0.288494 | 0.085467 | 0.456758 | 0.673923 | -1.740210 | 9.445010 | 0.000000 |
1.002645 | -0.000349 | -0.004785 | 0.105874 | 0.127886 | -0.060587 | -0.641040 | -2.210510 | -2.553320 | -8.493040 | 0.000000 |
0.536811 | -0.000069 | -0.001224 | 0.042586 | 0.482758 | -0.205258 | -0.917800 | 0.398876 | 5.052570 | 2.986380 | 0.000000 |
0.285174 | -0.000069 | -0.000970 | 0.035598 | 0.443842 | -0.245441 | 0.431082 | 1.643020 | -2.789990 | 2.314860 | 0.000000 |
0.142116 | -0.000009 | -0.000254 | 0.010743 | 0.146651 | -0.025126 | 0.621881 | -0.413342 | -0.567715 | -4.231490 | 0.000000 |
0.083330 | -0.000006 | -0.000021 | 0.000222 | -0.001574 | 0.393058 | 0.205703 | -0.635144 | 0.731112 | 2.226490 | 0.000000 |
0.044699 | 0.000002 | -0.000004 | 0.000481 | 0.008646 | 0.517287 | 0.078180 | -0.236996 | 0.420617 | -0.105941 | 0.000000 |
0.023422 | -0.000001 | -0.000000 | -0.000104 | -0.002239 | 0.232272 | -0.007215 | 0.013441 | -0.035365 | 0.271802 | 0.000000 |
0.011575 | 0.000000 | 0.000000 | 0.000027 | 0.000554 | 0.027380 | 0.002011 | -0.004580 | 0.011028 | -0.059961 | 1.000000 |
Comment: Q. Lu and K.A. Peterson, J. Chem. Phys. 145, 054111 (2016)
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