MOLPRO Basis Query, element=Cm, basis=cc-pVDZ-DK3, l=p
Basis Cm p cc-pVDZ-DK3
Primitives | Contractions... |
28779786.000000 | 0.000040 | -0.000049 | 0.000003 | -0.000007 | 0.000003 | -0.000001 | -0.000002 | 0.000000 |
6312743.600000 | 0.000082 | -0.000102 | 0.000006 | -0.000015 | 0.000007 | -0.000002 | -0.000005 | 0.000000 |
1626738.800000 | 0.000227 | -0.000282 | 0.000016 | -0.000040 | 0.000018 | -0.000004 | -0.000014 | 0.000000 |
466621.520000 | 0.000554 | -0.000688 | 0.000039 | -0.000099 | 0.000044 | -0.000010 | -0.000033 | 0.000000 |
145532.910000 | 0.001410 | -0.001760 | 0.000102 | -0.000253 | 0.000113 | -0.000026 | -0.000085 | 0.000000 |
48761.761000 | 0.003633 | -0.004559 | 0.000269 | -0.000657 | 0.000295 | -0.000068 | -0.000221 | 0.000000 |
17477.561000 | 0.009631 | -0.012189 | 0.000744 | -0.001768 | 0.000794 | -0.000183 | -0.000596 | 0.000000 |
6701.357900 | 0.025610 | -0.032838 | 0.002086 | -0.004818 | 0.002161 | -0.000496 | -0.001615 | 0.000000 |
2746.005400 | 0.065345 | -0.085741 | 0.005912 | -0.012777 | 0.005736 | -0.001320 | -0.004317 | 0.000000 |
1195.990400 | 0.145805 | -0.198111 | 0.014998 | -0.030371 | 0.013614 | -0.003126 | -0.010150 | 0.000000 |
547.942840 | 0.246263 | -0.349734 | 0.030189 | -0.055182 | 0.024775 | -0.005709 | -0.018749 | 0.000000 |
261.380060 | 0.260841 | -0.319643 | 0.014155 | -0.044038 | 0.019678 | -0.004488 | -0.014258 | 0.000000 |
127.996290 | 0.207362 | 0.165521 | -0.132894 | 0.094661 | -0.042286 | 0.009673 | 0.030724 | 0.000000 |
65.113465 | 0.224770 | 0.650047 | -0.361846 | 0.276013 | -0.124918 | 0.029067 | 0.097834 | 0.000000 |
33.557614 | 0.125049 | 0.331383 | -0.029051 | 0.035512 | -0.012437 | 0.002270 | 0.001136 | 0.000000 |
16.878446 | 0.009707 | -0.144330 | 0.667905 | -0.598856 | 0.290005 | -0.067161 | -0.213551 | 0.000000 |
8.742521 | -0.002758 | -0.129835 | 0.470850 | -0.345728 | 0.165467 | -0.040396 | -0.149204 | 0.000000 |
4.125537 | -0.000292 | -0.009004 | 0.048102 | 0.709409 | -0.512051 | 0.131133 | 0.500779 | 0.000000 |
1.997204 | 0.000362 | 0.004498 | -0.005256 | 0.540494 | -0.322665 | 0.076143 | 0.202551 | 0.000000 |
0.758648 | -0.000022 | 0.000275 | 0.000296 | 0.068681 | 0.586021 | -0.182724 | -1.037800 | 0.000000 |
0.313873 | 0.000023 | 0.000096 | -0.000212 | 0.013564 | 0.589331 | -0.248347 | 0.294182 | 0.000000 |
0.089913 | -0.000006 | -0.000005 | 0.000070 | 0.003396 | 0.070497 | 0.321386 | 0.821657 | 0.000000 |
0.030714 | 0.000002 | 0.000003 | -0.000023 | -0.000693 | -0.008300 | 0.804287 | 0.069653 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
|