MOLPRO Basis Query, element=Lr, basis=cc-pVTZ-DK3, l=p
Basis Lr p cc-pVTZ-DK3
Primitives | Contractions... |
59286809.000000 | 0.000034 | -0.000043 | 0.000003 | -0.000007 | 0.000003 | -0.000001 | -0.000003 | -0.000004 | 0.000005 | 0.000000 |
19159533.000000 | 0.000032 | -0.000041 | 0.000003 | -0.000006 | 0.000003 | -0.000001 | -0.000003 | -0.000003 | 0.000005 | 0.000000 |
6501089.800000 | 0.000104 | -0.000134 | 0.000010 | -0.000020 | 0.000009 | -0.000002 | -0.000008 | -0.000011 | 0.000015 | 0.000000 |
2332776.900000 | 0.000177 | -0.000228 | 0.000016 | -0.000035 | 0.000016 | -0.000004 | -0.000014 | -0.000019 | 0.000026 | 0.000000 |
875083.990000 | 0.000391 | -0.000506 | 0.000036 | -0.000077 | 0.000035 | -0.000008 | -0.000032 | -0.000043 | 0.000058 | 0.000000 |
340972.680000 | 0.000770 | -0.000998 | 0.000072 | -0.000153 | 0.000069 | -0.000016 | -0.000063 | -0.000085 | 0.000114 | 0.000000 |
137418.690000 | 0.001633 | -0.002124 | 0.000156 | -0.000326 | 0.000147 | -0.000035 | -0.000136 | -0.000181 | 0.000245 | 0.000000 |
57171.325000 | 0.003449 | -0.004507 | 0.000336 | -0.000695 | 0.000314 | -0.000075 | -0.000289 | -0.000384 | 0.000517 | 0.000000 |
24548.907000 | 0.007565 | -0.009955 | 0.000757 | -0.001543 | 0.000698 | -0.000166 | -0.000643 | -0.000860 | 0.001167 | 0.000000 |
10895.214000 | 0.016762 | -0.022281 | 0.001746 | -0.003482 | 0.001574 | -0.000375 | -0.001445 | -0.001921 | 0.002579 | 0.000000 |
5007.575600 | 0.037146 | -0.050152 | 0.004101 | -0.007927 | 0.003584 | -0.000854 | -0.003308 | -0.004433 | 0.006034 | 0.000000 |
2385.751700 | 0.078357 | -0.108309 | 0.009436 | -0.017443 | 0.007883 | -0.001877 | -0.007230 | -0.009594 | 0.012847 | 0.000000 |
1176.194800 | 0.146825 | -0.209643 | 0.019746 | -0.034552 | 0.015622 | -0.003723 | -0.014454 | -0.019444 | 0.026630 | 0.000000 |
597.935610 | 0.217167 | -0.319385 | 0.032275 | -0.053907 | 0.024349 | -0.005798 | -0.022238 | -0.029308 | 0.038798 | 0.000000 |
313.352910 | 0.222747 | -0.278376 | 0.015163 | -0.039410 | 0.017828 | -0.004252 | -0.016849 | -0.023399 | 0.033562 | 0.000000 |
168.536110 | 0.183560 | 0.069142 | -0.097564 | 0.064099 | -0.029255 | 0.007029 | 0.028523 | 0.040978 | -0.061401 | 0.000000 |
92.833258 | 0.200306 | 0.506424 | -0.301991 | 0.238562 | -0.108850 | 0.026026 | 0.099619 | 0.131036 | -0.174839 | 0.000000 |
51.914954 | 0.162582 | 0.463379 | -0.233878 | 0.180470 | -0.081794 | 0.019642 | 0.080366 | 0.116960 | -0.178424 | 0.000000 |
28.860148 | 0.049630 | 0.045072 | 0.311374 | -0.262173 | 0.130738 | -0.032097 | -0.141851 | -0.231595 | 0.417547 | 0.000000 |
16.300130 | 0.003224 | -0.157107 | 0.638383 | -0.649658 | 0.331994 | -0.081045 | -0.303479 | -0.373403 | 0.414135 | 0.000000 |
9.172505 | 0.000474 | -0.070108 | 0.281444 | -0.073607 | 0.001255 | 0.000665 | -0.010875 | -0.056529 | 0.206763 | 0.000000 |
5.033397 | -0.000008 | -0.004877 | 0.030897 | 0.676902 | -0.489002 | 0.128556 | 0.622710 | 1.207640 | -2.863500 | 0.000000 |
2.689017 | 0.000169 | 0.002323 | 0.002007 | 0.485661 | -0.344593 | 0.089064 | 0.316608 | -0.142422 | 3.212460 | 0.000000 |
1.334295 | -0.000009 | 0.000301 | 0.000159 | 0.093655 | 0.285248 | -0.090191 | -0.997653 | -1.916030 | -0.038778 | 0.000000 |
0.667888 | 0.000020 | 0.000122 | 0.000107 | 0.021908 | 0.598938 | -0.224340 | -0.428351 | 1.242170 | -2.828850 | 0.000000 |
0.325383 | -0.000005 | 0.000005 | 0.000040 | 0.013040 | 0.331806 | -0.172553 | 0.758590 | 0.861104 | 2.554090 | 0.000000 |
0.133171 | 0.000003 | 0.000013 | 0.000014 | 0.001091 | 0.043108 | 0.272402 | 0.643161 | -1.135050 | -0.351317 | 0.000000 |
0.059455 | -0.000001 | -0.000005 | -0.000003 | 0.000093 | -0.002053 | 0.625761 | -0.188953 | -0.314737 | -1.152390 | 0.000000 |
0.025427 | 0.000000 | 0.000002 | 0.000001 | -0.000015 | 0.000964 | 0.275226 | -0.540282 | 0.820893 | 0.932938 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
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