MOLPRO Basis Query, element=Mn, basis=AV5Z-DK, l=p
Basis Mn p AV5Z-DK
Primitives | Contractions... |
79296.800000 | 0.000020 | -0.000007 | -0.000002 | 0.000002 | 0.000005 | 0.000006 | 0.000008 | 0.000000 | 0.000000 |
19317.100000 | 0.000063 | -0.000022 | -0.000005 | 0.000007 | 0.000014 | 0.000020 | 0.000025 | 0.000000 | 0.000000 |
6114.100000 | 0.000248 | -0.000086 | -0.000020 | 0.000027 | 0.000058 | 0.000071 | 0.000106 | 0.000000 | 0.000000 |
2316.260000 | 0.000863 | -0.000300 | -0.000069 | 0.000094 | 0.000192 | 0.000285 | 0.000342 | 0.000000 | 0.000000 |
989.690000 | 0.002910 | -0.001016 | -0.000235 | 0.000319 | 0.000696 | 0.000815 | 0.001272 | 0.000000 | 0.000000 |
457.942000 | 0.009003 | -0.003159 | -0.000724 | 0.000984 | 0.002008 | 0.003040 | 0.003581 | 0.000000 | 0.000000 |
223.642000 | 0.025454 | -0.009031 | -0.002091 | 0.002843 | 0.006213 | 0.007183 | 0.011447 | 0.000000 | 0.000000 |
113.594000 | 0.063933 | -0.023126 | -0.005313 | 0.007209 | 0.014676 | 0.022524 | 0.026452 | 0.000000 | 0.000000 |
59.562100 | 0.136198 | -0.050779 | -0.011818 | 0.016056 | 0.035399 | 0.039627 | 0.066275 | 0.000000 | 0.000000 |
32.107200 | 0.231530 | -0.089399 | -0.020592 | 0.027942 | 0.055838 | 0.092275 | 0.101173 | 0.000000 | 0.000000 |
17.710300 | 0.302330 | -0.122877 | -0.029074 | 0.039611 | 0.092857 | 0.088176 | 0.182444 | 0.000000 | 0.000000 |
9.906210 | 0.268982 | -0.106514 | -0.024213 | 0.032968 | 0.062738 | 0.194184 | 0.226476 | 0.000000 | 0.000000 |
5.522430 | 0.129547 | 0.035756 | 0.010387 | -0.013121 | -0.007612 | -0.173532 | -0.419155 | 0.000000 | 0.000000 |
3.008320 | 0.023320 | 0.266942 | 0.075802 | -0.102649 | -0.332650 | -0.608331 | -1.743402 | 0.000000 | 0.000000 |
1.598730 | -0.001566 | 0.403625 | 0.113251 | -0.154489 | -0.410654 | -0.738211 | 2.274334 | 0.000000 | 0.000000 |
0.830868 | -0.002356 | 0.322589 | 0.110760 | -0.160060 | -0.106075 | 2.024303 | 0.684141 | 0.000000 | 0.000000 |
0.413538 | -0.000935 | 0.115613 | -0.045816 | 0.078449 | 1.222308 | -0.329829 | -2.857689 | 0.000000 | 0.000000 |
0.171214 | -0.000062 | 0.009995 | -0.366606 | 0.616374 | 0.049025 | -1.493532 | 2.515070 | 0.000000 | 0.000000 |
0.072122 | -0.000006 | 0.000164 | -0.520994 | 0.420793 | -0.793407 | 1.117744 | -1.034987 | 0.000000 | 0.000000 |
0.030110 | 0.000000 | 0.000127 | -0.216891 | 0.019703 | -0.029899 | 0.064467 | -0.134269 | 1.000000 | 0.000000 |
0.012570 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: N.B. Balabanov and K.A. Peterson, J. Chem. Phys. 123, 064107 (2005)