MOLPRO Basis Query, element=Fr, basis=cc-pVQZ-DK3, l=s
Basis Fr s cc-pVQZ-DK3
Primitives | Contractions... |
58437105.000000 | 0.001529 | -0.000619 | 0.000300 | -0.000154 | 0.000073 | 0.000029 | -0.000007 | 0.000000 | 0.000000 | 0.000000 |
15557955.000000 | 0.001362 | -0.000551 | 0.000267 | -0.000137 | 0.000065 | 0.000026 | -0.000007 | 0.000000 | 0.000000 | 0.000000 |
5328044.000000 | 0.003939 | -0.001597 | 0.000775 | -0.000397 | 0.000188 | 0.000076 | -0.000019 | 0.000000 | 0.000000 | 0.000000 |
2030918.600000 | 0.004964 | -0.002017 | 0.000979 | -0.000501 | 0.000238 | 0.000096 | -0.000024 | 0.000000 | 0.000000 | 0.000000 |
850374.710000 | 0.009796 | -0.003996 | 0.001941 | -0.000994 | 0.000472 | 0.000191 | -0.000047 | 0.000000 | 0.000000 | 0.000000 |
378346.400000 | 0.013531 | -0.005557 | 0.002702 | -0.001385 | 0.000657 | 0.000265 | -0.000066 | 0.000000 | 0.000000 | 0.000000 |
177878.240000 | 0.023079 | -0.009561 | 0.004656 | -0.002387 | 0.001133 | 0.000458 | -0.000114 | 0.000000 | 0.000000 | 0.000000 |
87171.515000 | 0.032720 | -0.013752 | 0.006714 | -0.003444 | 0.001635 | 0.000660 | -0.000164 | 0.000000 | 0.000000 | 0.000000 |
44314.434000 | 0.052050 | -0.022267 | 0.010904 | -0.005599 | 0.002658 | 0.001074 | -0.000267 | 0.000000 | 0.000000 | 0.000000 |
23193.795000 | 0.074015 | -0.032577 | 0.016032 | -0.008239 | 0.003914 | 0.001581 | -0.000393 | 0.000000 | 0.000000 | 0.000000 |
12442.666000 | 0.111453 | -0.050870 | 0.025199 | -0.012977 | 0.006166 | 0.002491 | -0.000619 | 0.000000 | 0.000000 | 0.000000 |
6804.451900 | 0.151938 | -0.073423 | 0.036748 | -0.018962 | 0.009018 | 0.003645 | -0.000906 | 0.000000 | 0.000000 | 0.000000 |
3783.347200 | 0.201547 | -0.104912 | 0.053267 | -0.027612 | 0.013141 | 0.005308 | -0.001320 | 0.000000 | 0.000000 | 0.000000 |
2140.994800 | 0.217862 | -0.125536 | 0.065014 | -0.033816 | 0.016123 | 0.006525 | -0.001622 | 0.000000 | 0.000000 | 0.000000 |
1241.576600 | 0.190387 | -0.114277 | 0.059726 | -0.031266 | 0.014896 | 0.006006 | -0.001494 | 0.000000 | 0.000000 | 0.000000 |
748.288740 | 0.099955 | -0.027681 | 0.008982 | -0.003642 | 0.001668 | 0.000707 | -0.000174 | 0.000000 | 0.000000 | 0.000000 |
474.581370 | 0.043222 | 0.106614 | -0.084632 | 0.048305 | -0.023716 | -0.009731 | 0.002417 | 0.000000 | 0.000000 | 0.000000 |
301.821970 | 0.002113 | 0.296526 | -0.255437 | 0.152756 | -0.075262 | -0.030507 | 0.007598 | 0.000000 | 0.000000 | 0.000000 |
188.385030 | 0.005220 | 0.386461 | -0.403786 | 0.250854 | -0.125604 | -0.051563 | 0.012825 | 0.000000 | 0.000000 | 0.000000 |
116.651430 | -0.004080 | 0.268721 | -0.309163 | 0.207444 | -0.105684 | -0.042979 | 0.010723 | 0.000000 | 0.000000 | 0.000000 |
72.781769 | 0.003471 | 0.078497 | 0.154334 | -0.150975 | 0.082556 | 0.033744 | -0.008452 | 0.000000 | 0.000000 | 0.000000 |
45.911008 | -0.002819 | 0.011511 | 0.593434 | -0.683974 | 0.410052 | 0.175482 | -0.043875 | 0.000000 | 0.000000 | 0.000000 |
28.691585 | 0.002017 | -0.001140 | 0.485591 | -0.683059 | 0.408759 | 0.171656 | -0.042991 | 0.000000 | 0.000000 | 0.000000 |
17.806141 | -0.001336 | 0.001042 | 0.151167 | 0.064878 | -0.057894 | -0.020166 | 0.005019 | 0.000000 | 0.000000 | 0.000000 |
10.637534 | 0.000862 | -0.000894 | 0.016665 | 0.807900 | -0.807243 | -0.397583 | 0.101349 | 0.000000 | 0.000000 | 0.000000 |
6.413502 | -0.000565 | 0.000507 | 0.000154 | 0.549479 | -0.809979 | -0.419958 | 0.108001 | 0.000000 | 0.000000 | 0.000000 |
3.818826 | 0.000348 | -0.000326 | 0.000442 | 0.104439 | 0.203626 | 0.151496 | -0.040262 | 0.000000 | 0.000000 | 0.000000 |
2.207572 | -0.000209 | 0.000213 | -0.000437 | 0.005796 | 0.868577 | 0.677781 | -0.184840 | 0.000000 | 0.000000 | 0.000000 |
1.276633 | 0.000123 | -0.000120 | 0.000144 | 0.000621 | 0.475062 | 0.567268 | -0.169661 | 0.000000 | 0.000000 | 0.000000 |
0.707521 | -0.000069 | 0.000069 | -0.000102 | 0.000111 | 0.063225 | -0.186504 | 0.074807 | 0.000000 | 0.000000 | 0.000000 |
0.382936 | 0.000040 | -0.000041 | 0.000065 | -0.000108 | 0.000981 | -0.698109 | 0.249303 | 0.000000 | 0.000000 | 0.000000 |
0.204457 | -0.000024 | 0.000024 | -0.000035 | 0.000015 | 0.000582 | -0.481940 | 0.261805 | 0.000000 | 0.000000 | 0.000000 |
0.105663 | 0.000016 | -0.000016 | 0.000025 | -0.000029 | -0.000088 | -0.083913 | 0.179031 | 0.000000 | 0.000000 | 0.000000 |
0.058993 | -0.000011 | 0.000011 | -0.000016 | 0.000017 | 0.000064 | -0.000162 | -0.135426 | 0.000000 | 0.000000 | 0.000000 |
0.031273 | 0.000006 | -0.000006 | 0.000009 | -0.000009 | -0.000034 | -0.001300 | -0.547464 | 1.000000 | 0.000000 | 0.000000 |
0.017090 | -0.000002 | 0.000002 | -0.000004 | 0.000004 | 0.000006 | -0.000195 | -0.479553 | 0.000000 | 1.000000 | 0.000000 |
0.009267 | 0.000001 | -0.000001 | 0.000001 | -0.000001 | -0.000003 | -0.000100 | -0.085271 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)