MOLPRO Basis Query, element=Ac, basis=cc-pVQZ-DK3, l=p
Basis Ac p cc-pVQZ-DK3
| Primitives | Contractions... |
|---|
| 73614503.000000 | 0.000014 | -0.000016 | 0.000001 | -0.000002 | 0.000001 | -0.000001 | -0.000001 | -0.000001 | 0.000001 | -0.000002 | 0.000000 |
| 26414371.000000 | 0.000008 | -0.000010 | 0.000001 | -0.000001 | 0.000001 | -0.000000 | -0.000000 | -0.000001 | 0.000001 | -0.000001 | 0.000000 |
| 9685982.500000 | 0.000037 | -0.000043 | 0.000003 | -0.000005 | 0.000003 | -0.000001 | -0.000002 | -0.000003 | 0.000004 | -0.000005 | 0.000000 |
| 3721390.300000 | 0.000054 | -0.000062 | 0.000004 | -0.000007 | 0.000004 | -0.000002 | -0.000003 | -0.000004 | 0.000006 | -0.000007 | 0.000000 |
| 1486583.500000 | 0.000123 | -0.000141 | 0.000010 | -0.000017 | 0.000008 | -0.000005 | -0.000006 | -0.000009 | 0.000014 | -0.000015 | 0.000000 |
| 615271.840000 | 0.000221 | -0.000255 | 0.000017 | -0.000031 | 0.000015 | -0.000008 | -0.000011 | -0.000017 | 0.000024 | -0.000028 | 0.000000 |
| 262707.880000 | 0.000454 | -0.000525 | 0.000036 | -0.000064 | 0.000031 | -0.000017 | -0.000022 | -0.000035 | 0.000051 | -0.000055 | 0.000000 |
| 115439.130000 | 0.000894 | -0.001035 | 0.000071 | -0.000126 | 0.000062 | -0.000033 | -0.000044 | -0.000069 | 0.000099 | -0.000116 | 0.000000 |
| 52154.565000 | 0.001853 | -0.002154 | 0.000150 | -0.000263 | 0.000129 | -0.000070 | -0.000093 | -0.000146 | 0.000210 | -0.000222 | 0.000000 |
| 24241.627000 | 0.003867 | -0.004516 | 0.000319 | -0.000554 | 0.000272 | -0.000145 | -0.000194 | -0.000303 | 0.000430 | -0.000519 | 0.000000 |
| 11611.258000 | 0.008276 | -0.009728 | 0.000699 | -0.001200 | 0.000588 | -0.000320 | -0.000422 | -0.000667 | 0.000965 | -0.000987 | 0.000000 |
| 5737.842100 | 0.017742 | -0.021069 | 0.001562 | -0.002620 | 0.001285 | -0.000683 | -0.000915 | -0.001425 | 0.002017 | -0.002518 | 0.000000 |
| 2923.962100 | 0.037589 | -0.045310 | 0.003493 | -0.005694 | 0.002792 | -0.001528 | -0.002007 | -0.003180 | 0.004619 | -0.004534 | 0.000000 |
| 1533.933400 | 0.075368 | -0.092994 | 0.007641 | -0.011900 | 0.005833 | -0.003084 | -0.004147 | -0.006432 | 0.009064 | -0.011835 | 0.000000 |
| 826.293090 | 0.134979 | -0.171838 | 0.015188 | -0.022467 | 0.011008 | -0.006076 | -0.007938 | -0.012653 | 0.018539 | -0.016831 | 0.000000 |
| 455.974340 | 0.198576 | -0.262397 | 0.025387 | -0.035318 | 0.017293 | -0.008975 | -0.012222 | -0.018729 | 0.025920 | -0.038609 | 0.000000 |
| 257.363770 | 0.217393 | -0.275925 | 0.023603 | -0.035652 | 0.017474 | -0.010173 | -0.012844 | -0.021213 | 0.032561 | -0.015117 | 0.000000 |
| 147.689580 | 0.176742 | -0.086422 | -0.027389 | 0.005115 | -0.002368 | 0.003007 | 0.002489 | 0.006327 | -0.014463 | -0.028512 | 0.000000 |
| 85.790688 | 0.153774 | 0.282648 | -0.158276 | 0.101363 | -0.049148 | 0.023123 | 0.033779 | 0.048581 | -0.060925 | 0.167184 | 0.000000 |
| 50.913858 | 0.163608 | 0.517885 | -0.281491 | 0.185148 | -0.089911 | 0.055458 | 0.067948 | 0.117390 | -0.192982 | 0.038548 | 0.000000 |
| 30.236255 | 0.106172 | 0.329676 | -0.102794 | 0.065252 | -0.031200 | 0.003650 | 0.016250 | 0.006858 | 0.035030 | 0.273256 | 0.000000 |
| 17.779967 | 0.024233 | -0.011387 | 0.344378 | -0.223712 | 0.110419 | -0.037478 | -0.071188 | -0.085157 | 0.066769 | -0.679370 | 0.000000 |
| 10.533030 | -0.004850 | -0.151750 | 0.574639 | -0.453742 | 0.232287 | -0.170170 | -0.191262 | -0.368668 | 0.716324 | 0.094433 | 0.000000 |
| 6.200474 | -0.003535 | -0.082579 | 0.304197 | -0.176592 | 0.078093 | 0.035766 | -0.024467 | 0.066224 | -0.447457 | -0.767668 | 0.000000 |
| 3.575096 | -0.000109 | -0.006773 | 0.032107 | 0.412742 | -0.258308 | 0.003481 | 0.174788 | 0.191595 | 0.077027 | 2.305250 | 0.000000 |
| 2.048101 | 0.000816 | 0.010637 | -0.026839 | 0.577988 | -0.419001 | 0.527813 | 0.392492 | 0.882129 | -2.742200 | 0.445370 | 0.000000 |
| 1.154338 | 0.000337 | 0.004588 | -0.012179 | 0.248233 | -0.133420 | -0.358356 | 0.096429 | -0.193533 | 4.574460 | -6.983250 | 0.000000 |
| 0.645371 | 0.000061 | 0.000790 | -0.002021 | 0.043565 | 0.345128 | 0.513880 | -0.732938 | -1.964820 | -1.067650 | 10.247400 | 0.000000 |
| 0.352072 | 0.000004 | 0.000081 | -0.000358 | 0.017992 | 0.533720 | -2.386240 | -0.369951 | 0.800959 | -3.180880 | -7.128430 | 0.000000 |
| 0.189267 | 0.000004 | 0.000050 | -0.000139 | 0.008164 | 0.310763 | 2.047770 | 0.248992 | 1.407670 | 2.714190 | 1.436250 | 0.000000 |
| 0.091830 | -0.000001 | -0.000003 | -0.000017 | 0.001573 | 0.049808 | 1.555820 | 0.607069 | -0.541750 | 0.104248 | 1.885660 | 0.000000 |
| 0.047768 | 0.000001 | 0.000004 | 0.000001 | -0.000188 | -0.001357 | -2.883700 | 0.315499 | -0.591219 | -0.742963 | -1.334100 | 0.000000 |
| 0.024219 | -0.000000 | -0.000002 | -0.000000 | 0.000104 | 0.001645 | 0.842663 | 0.045783 | -0.061375 | -0.093818 | -0.087227 | 0.000000 |
| 0.011996 | 0.000000 | 0.000000 | 0.000000 | -0.000025 | -0.000317 | 0.482758 | -0.001110 | -0.002813 | -0.001666 | -0.025754 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
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