MOLPRO Basis Query, element=Fr, basis=cc-pwCVQZ-X2C, l=s
Basis Fr s cc-pwCVQZ-X2C
| Primitives | Contractions... |
|---|
| 58437105.000000 | 0.002087 | -0.000850 | 0.000413 | -0.000211 | 0.000100 | 0.000040 | -0.000010 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 15557955.000000 | 0.001419 | -0.000579 | 0.000281 | -0.000144 | 0.000068 | 0.000028 | -0.000007 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 5328044.000000 | 0.004551 | -0.001858 | 0.000902 | -0.000462 | 0.000219 | 0.000089 | -0.000022 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2030918.600000 | 0.004762 | -0.001954 | 0.000950 | -0.000487 | 0.000231 | 0.000093 | -0.000023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 850374.710000 | 0.010175 | -0.004185 | 0.002034 | -0.001042 | 0.000495 | 0.000200 | -0.000050 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 378346.400000 | 0.012552 | -0.005215 | 0.002540 | -0.001302 | 0.000618 | 0.000250 | -0.000062 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 177878.240000 | 0.022811 | -0.009539 | 0.004651 | -0.002385 | 0.001132 | 0.000457 | -0.000114 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 87171.515000 | 0.030556 | -0.013007 | 0.006361 | -0.003264 | 0.001550 | 0.000626 | -0.000156 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 44314.434000 | 0.051241 | -0.022130 | 0.010850 | -0.005572 | 0.002646 | 0.001069 | -0.000266 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 23193.795000 | 0.071358 | -0.031761 | 0.015654 | -0.008048 | 0.003823 | 0.001545 | -0.000384 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 12442.666000 | 0.111705 | -0.051290 | 0.025424 | -0.013094 | 0.006222 | 0.002513 | -0.000625 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6804.451900 | 0.150828 | -0.073311 | 0.036715 | -0.018948 | 0.009012 | 0.003642 | -0.000905 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3783.347200 | 0.204339 | -0.106345 | 0.053981 | -0.027980 | 0.013315 | 0.005378 | -0.001337 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2140.994800 | 0.217434 | -0.125546 | 0.065026 | -0.033823 | 0.016126 | 0.006526 | -0.001621 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1241.576600 | 0.193451 | -0.115660 | 0.060406 | -0.031615 | 0.015062 | 0.006072 | -0.001510 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 748.288740 | 0.097287 | -0.026556 | 0.008417 | -0.003350 | 0.001529 | 0.000651 | -0.000160 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 474.581370 | 0.046573 | 0.105097 | -0.083862 | 0.047905 | -0.023525 | -0.009653 | 0.002397 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 301.821970 | -0.000941 | 0.297952 | -0.256158 | 0.153129 | -0.075437 | -0.030575 | 0.007613 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 188.385030 | 0.007810 | 0.385303 | -0.403192 | 0.250540 | -0.125451 | -0.051496 | 0.012804 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 116.651430 | -0.006248 | 0.269969 | -0.309991 | 0.207919 | -0.105913 | -0.043068 | 0.010742 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 72.781769 | 0.005283 | 0.077613 | 0.154601 | -0.151012 | 0.082550 | 0.033737 | -0.008448 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 45.911008 | -0.004240 | 0.012317 | 0.592910 | -0.683583 | 0.409824 | 0.175370 | -0.043834 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 28.691585 | 0.003033 | -0.001730 | 0.486142 | -0.683521 | 0.408997 | 0.171738 | -0.043000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 17.806141 | -0.002004 | 0.001445 | 0.151033 | 0.064593 | -0.057613 | -0.020035 | 0.004986 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 10.637534 | 0.001288 | -0.001160 | 0.016873 | 0.807684 | -0.806935 | -0.397379 | 0.101266 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 6.413502 | -0.000844 | 0.000686 | 0.000024 | 0.549822 | -0.810344 | -0.420081 | 0.108002 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.818826 | 0.000521 | -0.000439 | 0.000527 | 0.104479 | 0.203179 | 0.151161 | -0.040164 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2.207572 | -0.000312 | 0.000281 | -0.000492 | 0.005853 | 0.868537 | 0.677546 | -0.184712 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.276633 | 0.000184 | -0.000161 | 0.000177 | 0.000593 | 0.475342 | 0.567534 | -0.169683 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.707521 | -0.000103 | 0.000092 | -0.000121 | 0.000129 | 0.063278 | -0.186088 | 0.074646 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.382936 | 0.000060 | -0.000054 | 0.000076 | -0.000118 | 0.000995 | -0.698028 | 0.249125 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.204457 | -0.000036 | 0.000033 | -0.000042 | 0.000022 | 0.000577 | -0.482209 | 0.261782 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.105663 | 0.000024 | -0.000022 | 0.000030 | -0.000034 | -0.000083 | -0.083999 | 0.179198 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.058993 | -0.000016 | 0.000014 | -0.000020 | 0.000020 | 0.000061 | -0.000160 | -0.135050 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.031273 | 0.000008 | -0.000008 | 0.000010 | -0.000011 | -0.000032 | -0.001300 | -0.547335 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.017090 | -0.000004 | 0.000003 | -0.000005 | 0.000005 | 0.000005 | -0.000195 | -0.479847 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.009267 | 0.000001 | -0.000001 | 0.000001 | -0.000001 | -0.000003 | -0.000100 | -0.085431 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.729400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.712470 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.293520 | 0.000000 | 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)