MOLPRO Basis Query, element=Bk, basis=cc-pVTZ-DK3, l=p
Basis Bk p cc-pVTZ-DK3
Primitives | Contractions... |
55868854.000000 | 0.000025 | -0.000031 | 0.000002 | -0.000005 | 0.000002 | -0.000000 | -0.000002 | -0.000002 | -0.000003 | 0.000000 |
17148739.000000 | 0.000028 | -0.000034 | 0.000002 | -0.000005 | 0.000002 | -0.000000 | -0.000002 | -0.000003 | -0.000004 | 0.000000 |
5609054.900000 | 0.000085 | -0.000106 | 0.000006 | -0.000015 | 0.000007 | -0.000002 | -0.000005 | -0.000008 | -0.000012 | 0.000000 |
1954441.200000 | 0.000155 | -0.000193 | 0.000011 | -0.000028 | 0.000012 | -0.000003 | -0.000010 | -0.000014 | -0.000021 | 0.000000 |
716022.500000 | 0.000345 | -0.000430 | 0.000026 | -0.000063 | 0.000028 | -0.000006 | -0.000022 | -0.000032 | -0.000047 | 0.000000 |
273794.170000 | 0.000708 | -0.000885 | 0.000053 | -0.000129 | 0.000057 | -0.000013 | -0.000044 | -0.000066 | -0.000096 | 0.000000 |
108774.140000 | 0.001544 | -0.001936 | 0.000117 | -0.000283 | 0.000126 | -0.000028 | -0.000097 | -0.000145 | -0.000215 | 0.000000 |
44808.317000 | 0.003383 | -0.004263 | 0.000263 | -0.000626 | 0.000279 | -0.000062 | -0.000215 | -0.000320 | -0.000465 | 0.000000 |
19139.994000 | 0.007667 | -0.009731 | 0.000615 | -0.001436 | 0.000640 | -0.000142 | -0.000494 | -0.000739 | -0.001099 | 0.000000 |
8490.553300 | 0.017530 | -0.022483 | 0.001473 | -0.003345 | 0.001490 | -0.000331 | -0.001148 | -0.001710 | -0.002467 | 0.000000 |
3916.641300 | 0.039769 | -0.051849 | 0.003577 | -0.007808 | 0.003478 | -0.000773 | -0.002685 | -0.004027 | -0.006035 | 0.000000 |
1877.975900 | 0.084855 | -0.113443 | 0.008449 | -0.017419 | 0.007754 | -0.001723 | -0.005976 | -0.008885 | -0.012710 | 0.000000 |
932.831840 | 0.157891 | -0.218646 | 0.017912 | -0.034425 | 0.015333 | -0.003409 | -0.011846 | -0.017822 | -0.027122 | 0.000000 |
477.807470 | 0.226779 | -0.323717 | 0.028708 | -0.052182 | 0.023212 | -0.005160 | -0.017871 | -0.026408 | -0.036428 | 0.000000 |
251.942820 | 0.221880 | -0.257278 | 0.007836 | -0.033070 | 0.014758 | -0.003279 | -0.011466 | -0.017850 | -0.031966 | 0.000000 |
136.059870 | 0.179548 | 0.116881 | -0.107139 | 0.073170 | -0.032807 | 0.007327 | 0.025811 | 0.040816 | 0.075431 | 0.000000 |
75.264710 | 0.196966 | 0.534419 | -0.298068 | 0.233956 | -0.104809 | 0.023397 | 0.081311 | 0.119581 | 0.152504 | 0.000000 |
42.152875 | 0.149339 | 0.436700 | -0.192642 | 0.148107 | -0.065833 | 0.014677 | 0.051770 | 0.084378 | 0.180860 | 0.000000 |
23.408413 | 0.038813 | 0.012370 | 0.350334 | -0.277857 | 0.134423 | -0.030554 | -0.111623 | -0.194612 | -0.452916 | 0.000000 |
13.169348 | -0.001345 | -0.165111 | 0.623953 | -0.604913 | 0.300053 | -0.068187 | -0.237397 | -0.336182 | -0.292463 | 0.000000 |
7.363028 | -0.001197 | -0.068693 | 0.258731 | -0.050471 | -0.005335 | 0.001903 | 0.008480 | -0.009042 | -0.299674 | 0.000000 |
4.027954 | -0.000027 | -0.003236 | 0.022626 | 0.664061 | -0.460942 | 0.111977 | 0.430476 | 0.861368 | 2.603530 | 0.000000 |
2.153430 | 0.000201 | 0.002924 | -0.000841 | 0.482298 | -0.342163 | 0.084056 | 0.338508 | 0.300982 | -2.327050 | 0.000000 |
1.071521 | 0.000014 | 0.000472 | -0.000475 | 0.092880 | 0.274993 | -0.085853 | -0.711776 | -1.830880 | -1.161380 | 0.000000 |
0.533909 | 0.000012 | 0.000098 | 0.000083 | 0.019682 | 0.590819 | -0.191219 | -0.494796 | 0.498064 | 3.454070 | 0.000000 |
0.257706 | -0.000002 | 0.000016 | -0.000017 | 0.011996 | 0.343153 | -0.158970 | 0.388875 | 1.306920 | -2.332640 | 0.000000 |
0.106388 | 0.000002 | 0.000008 | 0.000020 | 0.001162 | 0.049592 | 0.185684 | 0.642365 | -0.688476 | 0.019598 | 0.000000 |
0.045760 | -0.000001 | -0.000003 | -0.000007 | 0.000100 | -0.001182 | 0.611346 | 0.197379 | -0.466521 | 0.699656 | 0.000000 |
0.019164 | 0.000000 | 0.000001 | 0.000002 | -0.000012 | 0.001019 | 0.358631 | 0.003747 | 0.008178 | -0.028083 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
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