MOLPRO Basis Query, element=Md, basis=cc-pVTZ-DK3, l=p
Basis Md p cc-pVTZ-DK3
Primitives | Contractions... |
57918575.000000 | 0.000030 | -0.000039 | 0.000001 | -0.000006 | 0.000003 | -0.000001 | -0.000002 | 0.000003 | -0.000004 | 0.000000 |
18383119.000000 | 0.000030 | -0.000039 | 0.000001 | -0.000006 | 0.000003 | -0.000001 | -0.000002 | 0.000003 | -0.000004 | 0.000000 |
6157003.900000 | 0.000097 | -0.000125 | 0.000005 | -0.000018 | 0.000008 | -0.000002 | -0.000007 | 0.000010 | -0.000014 | 0.000000 |
2186145.500000 | 0.000170 | -0.000218 | 0.000008 | -0.000032 | 0.000014 | -0.000003 | -0.000012 | 0.000017 | -0.000025 | 0.000000 |
813053.720000 | 0.000377 | -0.000484 | 0.000018 | -0.000072 | 0.000032 | -0.000006 | -0.000026 | 0.000039 | -0.000055 | 0.000000 |
314601.040000 | 0.000752 | -0.000969 | 0.000036 | -0.000144 | 0.000063 | -0.000013 | -0.000052 | 0.000078 | -0.000110 | 0.000000 |
126099.000000 | 0.001611 | -0.002083 | 0.000080 | -0.000311 | 0.000136 | -0.000028 | -0.000113 | 0.000168 | -0.000241 | 0.000000 |
52254.130000 | 0.003448 | -0.004481 | 0.000177 | -0.000672 | 0.000294 | -0.000061 | -0.000243 | 0.000361 | -0.000512 | 0.000000 |
22384.622000 | 0.007653 | -0.010016 | 0.000411 | -0.001511 | 0.000662 | -0.000136 | -0.000547 | 0.000818 | -0.001176 | 0.000000 |
9928.218000 | 0.017148 | -0.022679 | 0.000981 | -0.003448 | 0.001510 | -0.000311 | -0.001245 | 0.001851 | -0.002613 | 0.000000 |
4567.507700 | 0.038308 | -0.051487 | 0.002404 | -0.007921 | 0.003469 | -0.000715 | -0.002870 | 0.004304 | -0.006212 | 0.000000 |
2180.700300 | 0.081066 | -0.111650 | 0.005809 | -0.017503 | 0.007660 | -0.001579 | -0.006311 | 0.009369 | -0.013160 | 0.000000 |
1077.928200 | 0.151226 | -0.215458 | 0.012746 | -0.034593 | 0.015149 | -0.003123 | -0.012555 | 0.018895 | -0.027540 | 0.000000 |
549.444210 | 0.220570 | -0.323712 | 0.021285 | -0.053174 | 0.023254 | -0.004794 | -0.019108 | 0.028161 | -0.038756 | 0.000000 |
288.512880 | 0.221672 | -0.269506 | 0.003635 | -0.036231 | 0.015890 | -0.003273 | -0.013369 | 0.020863 | -0.033195 | 0.000000 |
155.328580 | 0.182860 | 0.096994 | -0.100659 | 0.069761 | -0.030808 | 0.006379 | 0.026401 | -0.042189 | 0.070031 | 0.000000 |
85.647871 | 0.202261 | 0.532501 | -0.286946 | 0.238492 | -0.105150 | 0.021767 | 0.086655 | -0.126921 | 0.171118 | 0.000000 |
47.865001 | 0.158065 | 0.455423 | -0.197480 | 0.162709 | -0.071325 | 0.014741 | 0.061627 | -0.101147 | 0.178280 | 0.000000 |
26.549809 | 0.042565 | 0.012631 | 0.342991 | -0.281615 | 0.134963 | -0.028387 | -0.124291 | 0.221689 | -0.449356 | 0.000000 |
14.967481 | -0.001595 | -0.183090 | 0.629993 | -0.634060 | 0.310794 | -0.065512 | -0.257736 | 0.355546 | -0.368472 | 0.000000 |
8.388772 | -0.001315 | -0.075665 | 0.259880 | -0.035540 | -0.017576 | 0.004644 | 0.012532 | 0.020654 | -0.221258 | 0.000000 |
4.592810 | -0.000049 | -0.003331 | 0.021254 | 0.686921 | -0.473171 | 0.105554 | 0.497670 | -1.041400 | 2.799690 | 0.000000 |
2.445349 | 0.000215 | 0.003127 | -0.001535 | 0.471236 | -0.314988 | 0.070423 | 0.282596 | -0.039268 | -2.981010 | 0.000000 |
1.202292 | 0.000008 | 0.000455 | -0.000519 | 0.084422 | 0.298161 | -0.081181 | -0.776701 | 1.797470 | -0.259807 | 0.000000 |
0.591696 | 0.000014 | 0.000094 | 0.000059 | 0.016559 | 0.585635 | -0.173421 | -0.421709 | -0.784597 | 2.868230 | 0.000000 |
0.281659 | -0.000003 | 0.000012 | -0.000019 | 0.010092 | 0.329337 | -0.146832 | 0.441105 | -1.068460 | -2.322730 | 0.000000 |
0.112882 | 0.000002 | 0.000008 | 0.000016 | 0.000855 | 0.045068 | 0.181961 | 0.620709 | 0.750219 | 0.264039 | 0.000000 |
0.047725 | -0.000001 | -0.000003 | -0.000005 | 0.000093 | -0.001546 | 0.609005 | 0.155007 | 0.375008 | 0.578356 | 0.000000 |
0.019634 | 0.000000 | 0.000001 | 0.000002 | -0.000016 | 0.001007 | 0.360780 | 0.003871 | -0.007954 | -0.027819 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
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