MOLPRO Basis Query, element=Ce, basis=ROOS_DZP, l=s
Basis Ce s ROOS_DZP
Primitives | Contractions... |
45191317.300000 | 0.000330 | -0.000117 | 0.000053 | -0.000025 | 0.000010 | -0.000003 | 0.000008 |
8375256.960000 | 0.000685 | -0.000243 | 0.000111 | -0.000052 | 0.000021 | -0.000006 | 0.000018 |
2008484.480000 | 0.001800 | -0.000639 | 0.000291 | -0.000138 | 0.000056 | -0.000017 | 0.000046 |
553938.141000 | 0.004066 | -0.001449 | 0.000661 | -0.000312 | 0.000126 | -0.000038 | 0.000105 |
170633.491000 | 0.009109 | -0.003269 | 0.001493 | -0.000705 | 0.000285 | -0.000085 | 0.000238 |
57400.923800 | 0.019783 | -0.007183 | 0.003287 | -0.001553 | 0.000627 | -0.000188 | 0.000521 |
20779.253800 | 0.042882 | -0.015901 | 0.007300 | -0.003448 | 0.001394 | -0.000418 | 0.001170 |
7989.273260 | 0.091782 | -0.035312 | 0.016302 | -0.007723 | 0.003120 | -0.000934 | 0.002580 |
3225.206020 | 0.186226 | -0.077053 | 0.035983 | -0.017046 | 0.006900 | -0.002071 | 0.005833 |
1356.517710 | 0.315699 | -0.150421 | 0.071885 | -0.034361 | 0.013895 | -0.004156 | 0.011380 |
591.159645 | 0.348393 | -0.214544 | 0.107302 | -0.051465 | 0.020940 | -0.006306 | 0.018146 |
263.327832 | 0.158396 | -0.072028 | 0.035397 | -0.017723 | 0.007043 | -0.002038 | 0.004063 |
121.071763 | 0.008643 | 0.427005 | -0.317972 | 0.169694 | -0.069858 | 0.020810 | -0.054142 |
57.625304 | 0.003342 | 0.579675 | -0.620653 | 0.351445 | -0.149552 | 0.045640 | -0.139853 |
27.949873 | -0.002494 | 0.157424 | 0.031761 | -0.017057 | 0.010355 | -0.004407 | 0.040249 |
13.793097 | 0.001667 | 0.006086 | 0.898137 | -0.960460 | 0.461077 | -0.139394 | 0.359682 |
6.723764 | -0.001063 | -0.000702 | 0.357765 | -0.394038 | 0.210329 | -0.070975 | 0.289071 |
3.222920 | 0.000603 | 0.000408 | 0.006420 | 1.050546 | -0.801714 | 0.275304 | -1.146168 |
1.491420 | -0.000285 | -0.000364 | 0.004989 | 0.486647 | -0.581186 | 0.195324 | -0.075364 |
0.593204 | 0.000124 | 0.000173 | -0.001835 | -0.002342 | 0.963528 | -0.414819 | 1.935687 |
0.237920 | -0.000058 | -0.000078 | 0.000735 | 0.006968 | 0.538047 | -0.519603 | -1.095013 |
0.080410 | 0.000027 | 0.000038 | -0.000353 | -0.003022 | -0.022691 | 0.566236 | -1.167634 |
0.028761 | -0.000016 | -0.000023 | 0.000214 | 0.001862 | 0.022624 | 0.772296 | 0.992202 |
0.011505 | 0.000009 | 0.000012 | -0.000114 | -0.000988 | -0.010686 | -0.042308 | 0.215801 |
0.004601 | -0.000003 | -0.000004 | 0.000034 | 0.000300 | 0.003309 | 0.027108 | 0.025801 |
Comment: B. O. Roos, R. Lindh, P.-A. Malmqvist, V. Veryazov, P.-O. Widmark, J. Phys. Chem. A, 112, 11431-11435 (2008)