MOLPRO Basis Query, element=Fr, basis=aug-cc-pwCVDZ-X, l=s
Basis Fr s aug-cc-pwCVDZ-X
Primitives | Contractions... |
56963096.000000 | 0.002098 | -0.000854 | 0.000415 | 0.000212 | 0.000101 | 0.000041 | 0.000010 | 0.000000 | 0.000000 | 0.000000 |
14755889.000000 | 0.001662 | -0.000678 | 0.000329 | 0.000169 | 0.000080 | 0.000032 | 0.000008 | 0.000000 | 0.000000 | 0.000000 |
4796243.800000 | 0.004819 | -0.001968 | 0.000956 | 0.000490 | 0.000232 | 0.000094 | 0.000023 | 0.000000 | 0.000000 | 0.000000 |
1693177.600000 | 0.006431 | -0.002640 | 0.001283 | 0.000657 | 0.000312 | 0.000126 | 0.000031 | 0.000000 | 0.000000 | 0.000000 |
638004.940000 | 0.012877 | -0.005310 | 0.002582 | 0.001324 | 0.000628 | 0.000254 | 0.000063 | 0.000000 | 0.000000 | 0.000000 |
250854.750000 | 0.020543 | -0.008569 | 0.004177 | 0.002141 | 0.001016 | 0.000411 | 0.000102 | 0.000000 | 0.000000 | 0.000000 |
102530.480000 | 0.037318 | -0.015782 | 0.007707 | 0.003955 | 0.001878 | 0.000758 | 0.000189 | 0.000000 | 0.000000 | 0.000000 |
43324.751000 | 0.063186 | -0.027387 | 0.013443 | 0.006900 | 0.003278 | 0.001324 | 0.000329 | 0.000000 | 0.000000 | 0.000000 |
18883.306000 | 0.110061 | -0.049339 | 0.024328 | 0.012525 | 0.005949 | 0.002402 | 0.000598 | 0.000000 | 0.000000 | 0.000000 |
8466.867800 | 0.178672 | -0.084875 | 0.042388 | 0.021828 | 0.010382 | 0.004196 | 0.001041 | 0.000000 | 0.000000 | 0.000000 |
3897.448000 | 0.261974 | -0.135971 | 0.068820 | 0.035733 | 0.016994 | 0.006864 | 0.001711 | 0.000000 | 0.000000 | 0.000000 |
1838.235600 | 0.293006 | -0.173230 | 0.090576 | 0.047002 | 0.022444 | 0.009079 | 0.002247 | 0.000000 | 0.000000 | 0.000000 |
885.366030 | 0.197028 | -0.093610 | 0.044240 | 0.023113 | 0.010872 | 0.004379 | 0.001111 | 0.000000 | 0.000000 | 0.000000 |
421.553070 | 0.046767 | 0.241715 | -0.189908 | -0.111617 | -0.054494 | -0.022144 | -0.005562 | 0.000000 | 0.000000 | 0.000000 |
212.904350 | -0.000485 | 0.541465 | -0.543917 | -0.331370 | -0.165567 | -0.067618 | -0.016714 | 0.000000 | 0.000000 | 0.000000 |
110.053810 | 0.000993 | 0.332872 | -0.337814 | -0.231817 | -0.117634 | -0.048237 | -0.012252 | 0.000000 | 0.000000 | 0.000000 |
53.965406 | -0.000577 | 0.043749 | 0.645059 | 0.703738 | 0.403712 | 0.169974 | 0.042982 | 0.000000 | 0.000000 | 0.000000 |
28.566819 | 0.000299 | -0.002681 | 0.675954 | 0.892178 | 0.556944 | 0.239633 | 0.059205 | 0.000000 | 0.000000 | 0.000000 |
13.268951 | -0.000155 | 0.000981 | 0.099289 | -0.641543 | -0.604039 | -0.282493 | -0.069919 | 0.000000 | 0.000000 | 0.000000 |
7.004081 | 0.000087 | -0.000591 | -0.008491 | -0.883497 | -1.099392 | -0.567546 | -0.148522 | 0.000000 | 0.000000 | 0.000000 |
2.763051 | -0.000038 | 0.000239 | 0.002931 | -0.086658 | 0.742259 | 0.578135 | 0.161899 | 0.000000 | 0.000000 | 0.000000 |
1.421643 | 0.000019 | -0.000109 | -0.001491 | 0.013859 | 0.806627 | 0.759301 | 0.208455 | 0.000000 | 0.000000 | 0.000000 |
0.438314 | -0.000006 | 0.000034 | 0.000419 | -0.003131 | 0.045295 | -0.787794 | -0.272299 | 0.000000 | 0.000000 | 0.000000 |
0.190531 | 0.000003 | -0.000015 | -0.000174 | 0.001300 | -0.008691 | -0.607149 | -0.383193 | 0.000000 | 0.000000 | 0.000000 |
0.029693 | -0.000001 | 0.000004 | 0.000048 | -0.000336 | 0.001868 | -0.018064 | 0.740610 | 0.000000 | 0.000000 | 0.000000 |
0.013784 | 0.000000 | -0.000002 | -0.000026 | 0.000178 | -0.000980 | 0.006313 | 0.418937 | 1.000000 | 0.000000 | 0.000000 |
0.363580 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.006400 | 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)