MOLPRO Basis Query, element=Fr, basis=aug-cc-pVDZ-DK3, l=s
Basis Fr s aug-cc-pVDZ-DK3
Primitives | Contractions... |
56963096.000000 | 0.001542 | -0.000624 | 0.000303 | 0.000155 | 0.000074 | 0.000030 | 0.000007 | 0.000000 | 0.000000 |
14755889.000000 | 0.001560 | -0.000631 | 0.000306 | 0.000157 | 0.000074 | 0.000030 | 0.000007 | 0.000000 | 0.000000 |
4796243.800000 | 0.004264 | -0.001728 | 0.000838 | 0.000429 | 0.000204 | 0.000082 | 0.000020 | 0.000000 | 0.000000 |
1693177.600000 | 0.006529 | -0.002654 | 0.001289 | 0.000660 | 0.000313 | 0.000127 | 0.000031 | 0.000000 | 0.000000 |
638004.940000 | 0.012841 | -0.005248 | 0.002549 | 0.001306 | 0.000620 | 0.000250 | 0.000062 | 0.000000 | 0.000000 |
250854.750000 | 0.021625 | -0.008922 | 0.004343 | 0.002225 | 0.001056 | 0.000427 | 0.000106 | 0.000000 | 0.000000 |
102530.480000 | 0.038680 | -0.016184 | 0.007892 | 0.004049 | 0.001922 | 0.000776 | 0.000193 | 0.000000 | 0.000000 |
43324.751000 | 0.065635 | -0.028132 | 0.013789 | 0.007075 | 0.003361 | 0.001358 | 0.000337 | 0.000000 | 0.000000 |
18883.306000 | 0.111713 | -0.049640 | 0.024449 | 0.012585 | 0.005977 | 0.002414 | 0.000601 | 0.000000 | 0.000000 |
8466.867800 | 0.179214 | -0.084653 | 0.042253 | 0.021755 | 0.010348 | 0.004182 | 0.001038 | 0.000000 | 0.000000 |
3897.448000 | 0.260124 | -0.134821 | 0.068235 | 0.035431 | 0.016850 | 0.006807 | 0.001697 | 0.000000 | 0.000000 |
1838.235600 | 0.291534 | -0.172412 | 0.090174 | 0.046794 | 0.022347 | 0.009040 | 0.002239 | 0.000000 | 0.000000 |
885.366030 | 0.196267 | -0.093207 | 0.044042 | 0.023012 | 0.010823 | 0.004360 | 0.001106 | 0.000000 | 0.000000 |
421.553070 | 0.046865 | 0.241685 | -0.189894 | -0.111614 | -0.054491 | -0.022146 | -0.005564 | 0.000000 | 0.000000 |
212.904350 | -0.000641 | 0.541451 | -0.543922 | -0.331375 | -0.165581 | -0.067628 | -0.016722 | 0.000000 | 0.000000 |
110.053810 | 0.001110 | 0.332602 | -0.337411 | -0.231545 | -0.117488 | -0.048185 | -0.012241 | 0.000000 | 0.000000 |
53.965406 | -0.000661 | 0.043745 | 0.645291 | 0.704075 | 0.403911 | 0.170082 | 0.043017 | 0.000000 | 0.000000 |
28.566819 | 0.000355 | -0.002713 | 0.675695 | 0.891754 | 0.556735 | 0.239557 | 0.059206 | 0.000000 | 0.000000 |
13.268951 | -0.000188 | 0.001002 | 0.099171 | -0.642040 | -0.604653 | -0.282795 | -0.070023 | 0.000000 | 0.000000 |
7.004081 | 0.000106 | -0.000603 | -0.008475 | -0.883122 | -1.098881 | -0.567405 | -0.148509 | 0.000000 | 0.000000 |
2.763051 | -0.000046 | 0.000244 | 0.002924 | -0.086565 | 0.742787 | 0.578790 | 0.162090 | 0.000000 | 0.000000 |
1.421643 | 0.000023 | -0.000112 | -0.001487 | 0.013848 | 0.806181 | 0.758768 | 0.208415 | 0.000000 | 0.000000 |
0.438314 | -0.000007 | 0.000035 | 0.000418 | -0.003128 | 0.045255 | -0.788229 | -0.272717 | 0.000000 | 0.000000 |
0.190531 | 0.000003 | -0.000015 | -0.000174 | 0.001299 | -0.008687 | -0.606719 | -0.382885 | 0.000000 | 0.000000 |
0.029693 | -0.000001 | 0.000004 | 0.000048 | -0.000336 | 0.001867 | -0.018056 | 0.741265 | 0.000000 | 0.000000 |
0.013784 | 0.000000 | -0.000002 | -0.000026 | 0.000178 | -0.000979 | 0.006311 | 0.418267 | 1.000000 | 0.000000 |
0.006400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
|