MOLPRO Basis Query, element=Tb, basis=ROOS_DZP, l=s
Basis Tb s ROOS_DZP
Primitives | Contractions... |
48375636.100000 | 0.000483 | -0.000176 | 0.000082 | -0.000039 | 0.000015 | -0.000004 | 0.000011 |
9671040.300000 | 0.000883 | -0.000322 | 0.000150 | -0.000072 | 0.000028 | -0.000008 | 0.000021 |
2446885.310000 | 0.002287 | -0.000836 | 0.000389 | -0.000187 | 0.000072 | -0.000021 | 0.000055 |
699121.858000 | 0.004904 | -0.001800 | 0.000839 | -0.000403 | 0.000156 | -0.000045 | 0.000117 |
220488.132000 | 0.010651 | -0.003939 | 0.001837 | -0.000883 | 0.000342 | -0.000100 | 0.000258 |
75257.627400 | 0.022222 | -0.008319 | 0.003888 | -0.001871 | 0.000724 | -0.000211 | 0.000544 |
27463.626400 | 0.046329 | -0.017723 | 0.008313 | -0.003999 | 0.001551 | -0.000451 | 0.001172 |
10590.681600 | 0.095165 | -0.037784 | 0.017823 | -0.008597 | 0.003328 | -0.000968 | 0.002488 |
4270.357440 | 0.186764 | -0.079597 | 0.037994 | -0.018340 | 0.007123 | -0.002074 | 0.005420 |
1788.903360 | 0.311077 | -0.151501 | 0.073949 | -0.035997 | 0.013941 | -0.004052 | 0.010335 |
775.654722 | 0.345042 | -0.212225 | 0.108235 | -0.052924 | 0.020687 | -0.006033 | 0.016089 |
344.306786 | 0.161706 | -0.065985 | 0.031074 | -0.015588 | 0.005769 | -0.001643 | 0.002962 |
157.890582 | 0.009956 | 0.431272 | -0.333254 | 0.182221 | -0.071666 | 0.020819 | -0.050821 |
75.091116 | 0.003243 | 0.575716 | -0.634682 | 0.371324 | -0.152746 | 0.044952 | -0.127127 |
36.561659 | -0.002486 | 0.151590 | 0.073342 | -0.056235 | 0.029747 | -0.009404 | 0.045781 |
18.154757 | 0.001667 | 0.005914 | 0.913751 | -1.033635 | 0.473806 | -0.139914 | 0.348754 |
8.857161 | -0.001048 | -0.001056 | 0.326019 | -0.272031 | 0.141159 | -0.044854 | 0.190129 |
4.237568 | 0.000589 | 0.000596 | 0.004894 | 1.074733 | -0.812957 | 0.262415 | -1.084553 |
1.939204 | -0.000260 | -0.000429 | 0.003839 | 0.421458 | -0.431958 | 0.141426 | 0.300411 |
0.731948 | 0.000108 | 0.000226 | -0.001338 | -0.002585 | 0.916031 | -0.375715 | 1.125588 |
0.292779 | -0.000077 | -0.000104 | 0.000707 | 0.007438 | 0.498020 | -0.444328 | -0.316676 |
0.117112 | 0.000042 | 0.000069 | -0.000415 | -0.003883 | -0.023071 | 0.230047 | -1.100118 |
0.046845 | -0.000020 | -0.000044 | 0.000199 | 0.002201 | 0.039378 | 0.825223 | -0.223307 |
0.018738 | 0.000012 | 0.000016 | -0.000110 | -0.001005 | -0.004852 | 0.212496 | 1.172245 |
0.007495 | -0.000003 | -0.000005 | 0.000030 | 0.000294 | 0.002593 | -0.004792 | -0.077712 |
Comment: B. O. Roos, R. Lindh, P.-A. Malmqvist, V. Veryazov, P.-O. Widmark, J. Phys. Chem. A, 112, 11431-11435 (2008)
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