MOLPRO Basis Query, element=Am, basis=cc-pVQZ-X2C, l=s
Basis Am s cc-pVQZ-X2C
Primitives | Contractions... |
56303346.000000 | 0.003324 | -0.001509 | 0.001351 | -0.000204 | 0.000197 | -0.000087 | 0.000037 | 0.000074 | 0.000096 | -0.000124 | 0.000129 | 0.000000 |
14988829.000000 | 0.002119 | -0.000964 | 0.000864 | -0.000131 | 0.000126 | -0.000056 | 0.000024 | 0.000047 | 0.000061 | -0.000079 | 0.000083 | 0.000000 |
5125970.300000 | 0.006921 | -0.003149 | 0.002823 | -0.000427 | 0.000411 | -0.000183 | 0.000078 | 0.000154 | 0.000200 | -0.000259 | 0.000270 | 0.000000 |
1947967.100000 | 0.006816 | -0.003116 | 0.002800 | -0.000424 | 0.000408 | -0.000182 | 0.000077 | 0.000153 | 0.000199 | -0.000257 | 0.000268 | 0.000000 |
812671.980000 | 0.014781 | -0.006769 | 0.006089 | -0.000923 | 0.000889 | -0.000395 | 0.000168 | 0.000332 | 0.000432 | -0.000559 | 0.000583 | 0.000000 |
359925.900000 | 0.017199 | -0.007951 | 0.007188 | -0.001093 | 0.001051 | -0.000468 | 0.000199 | 0.000393 | 0.000512 | -0.000663 | 0.000690 | 0.000000 |
168644.310000 | 0.031579 | -0.014673 | 0.013299 | -0.002027 | 0.001948 | -0.000866 | 0.000369 | 0.000729 | 0.000948 | -0.001225 | 0.001279 | 0.000000 |
82671.372000 | 0.038899 | -0.018377 | 0.016801 | -0.002578 | 0.002471 | -0.001099 | 0.000467 | 0.000925 | 0.001204 | -0.001563 | 0.001622 | 0.000000 |
42400.980000 | 0.065338 | -0.031175 | 0.028653 | -0.004415 | 0.004225 | -0.001879 | 0.000799 | 0.001581 | 0.002053 | -0.002644 | 0.002777 | 0.000000 |
22690.864000 | 0.077505 | -0.038055 | 0.035486 | -0.005526 | 0.005268 | -0.002342 | 0.000997 | 0.001972 | 0.002576 | -0.003374 | 0.003456 | 0.000000 |
12732.012000 | 0.119226 | -0.059460 | 0.055918 | -0.008773 | 0.008341 | -0.003708 | 0.001578 | 0.003119 | 0.004030 | -0.005100 | 0.005496 | 0.000000 |
7500.188000 | 0.119331 | -0.062674 | 0.060424 | -0.009647 | 0.009111 | -0.004053 | 0.001724 | 0.003416 | 0.004522 | -0.006169 | 0.005957 | 0.000000 |
4603.107800 | 0.171402 | -0.091495 | 0.089108 | -0.014385 | 0.013539 | -0.006017 | 0.002559 | 0.005052 | 0.006393 | -0.007532 | 0.008984 | 0.000000 |
2904.475300 | 0.138537 | -0.080244 | 0.080977 | -0.013370 | 0.012473 | -0.005552 | 0.002363 | 0.004698 | 0.006483 | -0.009903 | 0.008067 | 0.000000 |
1853.075500 | 0.176227 | -0.099841 | 0.100090 | -0.016551 | 0.015452 | -0.006859 | 0.002917 | 0.005732 | 0.006838 | -0.006303 | 0.010387 | 0.000000 |
1160.810500 | 0.105590 | -0.049255 | 0.041389 | -0.005340 | 0.005451 | -0.002440 | 0.001040 | 0.002112 | 0.003701 | -0.008699 | 0.003219 | 0.000000 |
713.400550 | 0.085513 | 0.020753 | -0.072267 | 0.021111 | -0.016732 | 0.007477 | -0.003187 | -0.006423 | -0.009898 | 0.019033 | -0.011076 | 0.000000 |
437.532760 | 0.026008 | 0.153566 | -0.326104 | 0.090392 | -0.072915 | 0.032455 | -0.013820 | -0.027270 | -0.033248 | 0.033705 | -0.049769 | 0.000000 |
267.528010 | 0.045540 | 0.194781 | -0.539978 | 0.173108 | -0.135623 | 0.060636 | -0.025847 | -0.051646 | -0.071538 | 0.109491 | -0.093203 | 0.000000 |
162.794630 | 0.015738 | 0.144210 | -0.481156 | 0.172831 | -0.134095 | 0.060031 | -0.025595 | -0.050444 | -0.059477 | 0.051338 | -0.091091 | 0.000000 |
99.225427 | 0.023655 | 0.126956 | 0.056305 | -0.089483 | 0.061800 | -0.028005 | 0.011975 | 0.023100 | 0.019093 | 0.021261 | 0.039844 | 0.000000 |
61.274210 | 0.017188 | 0.255836 | 0.631762 | -0.608468 | 0.466440 | -0.217792 | 0.093558 | 0.191332 | 0.277245 | -0.466855 | 0.429390 | 0.000000 |
37.437349 | 0.024065 | 0.205152 | 0.571393 | -0.641143 | 0.492169 | -0.229398 | 0.098512 | 0.198845 | 0.234491 | -0.174579 | 0.347469 | 0.000000 |
22.773036 | 0.001208 | 0.061682 | 0.124843 | 0.079749 | -0.070157 | 0.028876 | -0.012038 | -0.033783 | -0.015515 | -0.163909 | -0.249438 | 0.000000 |
14.285777 | 0.004053 | -0.001167 | -0.087230 | 0.736949 | -0.876128 | 0.491650 | -0.217705 | -0.459541 | -0.730794 | 1.536510 | -1.263090 | 0.000000 |
8.984844 | -0.002654 | -0.000699 | -0.076600 | 0.528194 | -0.895207 | 0.528128 | -0.234952 | -0.505578 | -0.571614 | -0.052016 | -0.343424 | 0.000000 |
5.566373 | 0.001800 | -0.001832 | -0.016110 | 0.140153 | 0.154384 | -0.158408 | 0.074093 | 0.203572 | 0.232639 | 0.700628 | -0.157704 | 0.000000 |
3.327173 | -0.001163 | 0.000963 | -0.002462 | 0.042574 | 0.871362 | -0.810227 | 0.388608 | 0.994052 | 1.965090 | -6.456460 | 10.554800 | 0.000000 |
2.007090 | 0.000869 | -0.000393 | 0.000964 | 0.019774 | 0.478987 | -0.608509 | 0.310295 | 1.022120 | 1.131430 | 4.803690 | -19.274800 | 0.000000 |
1.238595 | -0.000556 | 0.000375 | -0.000694 | 0.003684 | 0.096378 | 0.095621 | -0.068895 | -1.316720 | -3.942380 | 5.928020 | 9.900840 | 0.000000 |
0.733773 | 0.000321 | -0.000190 | 0.000402 | 0.000633 | 0.031148 | 0.559689 | -0.338310 | -1.309130 | -0.804623 | -8.300540 | 7.790300 | 0.000000 |
0.434816 | -0.000170 | 0.000106 | -0.000235 | 0.000330 | 0.021088 | 0.522886 | -0.410158 | -0.004067 | 2.984570 | -0.460849 | -12.022700 | 0.000000 |
0.247648 | 0.000075 | -0.000044 | 0.000094 | 0.000117 | 0.007589 | 0.164643 | -0.252517 | 0.994114 | 1.008820 | 4.584320 | 3.085160 | 0.000000 |
0.122773 | -0.000031 | 0.000019 | -0.000042 | 0.000009 | 0.000694 | 0.032325 | 0.112038 | 0.950375 | -1.923430 | -0.540803 | 4.573600 | 0.000000 |
0.064724 | 0.000015 | -0.000009 | 0.000020 | -0.000003 | 0.001168 | 0.081429 | 0.513430 | -0.087617 | -0.755051 | -2.170920 | -3.967590 | 0.000000 |
0.032671 | -0.000006 | 0.000003 | -0.000008 | -0.000001 | 0.001101 | 0.080454 | 0.505124 | -0.647912 | 0.792659 | 0.572023 | -0.317933 | 0.000000 |
0.016370 | 0.000001 | -0.000001 | 0.000002 | -0.000000 | 0.000233 | 0.016603 | 0.105266 | -0.259009 | 0.457112 | 0.660556 | 1.283590 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
|