MOLPRO Basis Query, element=Fr, basis=aug-cc-pwCVTZ-X, l=s
Basis Fr s aug-cc-pwCVTZ-X
Primitives | Contractions... |
58419616.000000 | 0.002087 | -0.000850 | 0.000412 | -0.000211 | 0.000100 | 0.000040 | 0.000010 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
15548955.000000 | 0.001424 | -0.000581 | 0.000282 | -0.000145 | 0.000069 | 0.000028 | 0.000007 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
5320530.000000 | 0.004548 | -0.001857 | 0.000902 | -0.000462 | 0.000219 | 0.000089 | 0.000022 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2024632.800000 | 0.004814 | -0.001975 | 0.000960 | -0.000492 | 0.000233 | 0.000094 | 0.000023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
844514.760000 | 0.010213 | -0.004201 | 0.002042 | -0.001047 | 0.000497 | 0.000201 | 0.000050 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
373024.100000 | 0.012971 | -0.005389 | 0.002624 | -0.001345 | 0.000639 | 0.000258 | 0.000064 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
173063.390000 | 0.023476 | -0.009824 | 0.004790 | -0.002457 | 0.001166 | 0.000471 | 0.000117 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
83094.314000 | 0.033171 | -0.014128 | 0.006909 | -0.003546 | 0.001684 | 0.000680 | 0.000169 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
41047.046000 | 0.055916 | -0.024226 | 0.011885 | -0.006104 | 0.002899 | 0.001171 | 0.000291 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
20723.446000 | 0.083069 | -0.037144 | 0.018320 | -0.009421 | 0.004476 | 0.001809 | 0.000449 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
10662.414000 | 0.130757 | -0.060784 | 0.030201 | -0.015561 | 0.007395 | 0.002986 | 0.000742 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
5575.960900 | 0.183353 | -0.091000 | 0.045748 | -0.023642 | 0.011249 | 0.004547 | 0.001130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2959.492900 | 0.237630 | -0.128842 | 0.065944 | -0.034231 | 0.016294 | 0.006581 | 0.001636 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1592.111400 | 0.236505 | -0.142300 | 0.074321 | -0.038793 | 0.018518 | 0.007496 | 0.001863 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
866.647590 | 0.161581 | -0.075963 | 0.036537 | -0.018588 | 0.008765 | 0.003517 | 0.000874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
474.626470 | 0.049610 | 0.144734 | -0.114490 | 0.065957 | -0.032186 | -0.013039 | -0.003241 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
265.685980 | 0.006019 | 0.412656 | -0.372847 | 0.224638 | -0.111424 | -0.045522 | -0.011332 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
150.639790 | -0.001121 | 0.418194 | -0.475995 | 0.305242 | -0.153398 | -0.062561 | -0.015556 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
86.313573 | 0.001197 | 0.162461 | -0.054428 | 0.025133 | -0.013419 | -0.005941 | -0.001518 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
50.448776 | -0.001132 | 0.017925 | 0.622985 | -0.683446 | 0.403181 | 0.171574 | 0.042985 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
29.524880 | 0.000881 | 0.000749 | 0.575890 | -0.803202 | 0.485612 | 0.205323 | 0.051220 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.066560 | -0.000673 | -0.000039 | 0.150561 | 0.136224 | -0.117724 | -0.047606 | -0.011607 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
9.888676 | 0.000512 | -0.000246 | 0.008646 | 0.893461 | -0.936964 | -0.467966 | -0.120074 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
5.749367 | -0.000368 | 0.000115 | 0.001412 | 0.454402 | -0.707505 | -0.363449 | -0.092349 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.409961 | 0.000233 | -0.000081 | -0.000440 | 0.055378 | 0.478343 | 0.318417 | 0.082329 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.894697 | -0.000126 | 0.000060 | -0.000002 | 0.005327 | 0.893272 | 0.783919 | 0.221574 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.049056 | 0.000066 | -0.000028 | -0.000062 | -0.000573 | 0.300329 | 0.357024 | 0.102877 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.541077 | -0.000031 | 0.000014 | 0.000022 | 0.000364 | 0.017203 | -0.527984 | -0.187644 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.275967 | 0.000014 | -0.000007 | -0.000004 | -0.000219 | 0.000564 | -0.720850 | -0.293999 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.137173 | -0.000005 | 0.000002 | 0.000003 | 0.000054 | 0.000076 | -0.224338 | -0.241372 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.039537 | 0.000002 | -0.000001 | -0.000001 | -0.000028 | 0.000018 | -0.006012 | 0.373689 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.021961 | -0.000002 | 0.000001 | 0.000001 | 0.000022 | -0.000022 | 0.001500 | 0.610070 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.011408 | 0.000001 | -0.000000 | -0.000000 | -0.000006 | 0.000002 | -0.000566 | 0.218524 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
0.258180 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
0.114420 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.005930 | 0.000000 | 0.000000 | 0.000000 | 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)