MOLPRO Basis Query, element=Hg, basis=aug-cc-pVTZ-DK3, l=s
Basis Hg s aug-cc-pVTZ-DK3
Primitives | Contractions... |
58703500000.000000 | 0.000010 | -0.000004 | 0.000002 | -0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
7916900000.000000 | 0.000031 | -0.000012 | 0.000006 | -0.000003 | 0.000001 | -0.000000 | -0.000001 | -0.000001 | 0.000000 | 0.000000 |
1415420000.000000 | 0.000088 | -0.000034 | 0.000017 | -0.000008 | 0.000004 | -0.000001 | -0.000002 | -0.000003 | 0.000000 | 0.000000 |
317385000.000000 | 0.000210 | -0.000082 | 0.000039 | -0.000020 | 0.000009 | -0.000003 | -0.000005 | -0.000007 | 0.000000 | 0.000000 |
85139000.000000 | 0.000450 | -0.000176 | 0.000084 | -0.000042 | 0.000018 | -0.000005 | -0.000012 | -0.000014 | 0.000000 | 0.000000 |
26257000.000000 | 0.000886 | -0.000346 | 0.000166 | -0.000083 | 0.000036 | -0.000011 | -0.000023 | -0.000028 | 0.000000 | 0.000000 |
9008770.000000 | 0.001653 | -0.000646 | 0.000310 | -0.000155 | 0.000068 | -0.000020 | -0.000042 | -0.000053 | 0.000000 | 0.000000 |
3348490.000000 | 0.002974 | -0.001164 | 0.000559 | -0.000280 | 0.000122 | -0.000036 | -0.000077 | -0.000095 | 0.000000 | 0.000000 |
1320410.000000 | 0.005240 | -0.002057 | 0.000988 | -0.000495 | 0.000217 | -0.000063 | -0.000135 | -0.000168 | 0.000000 | 0.000000 |
543686.000000 | 0.009129 | -0.003602 | 0.001731 | -0.000868 | 0.000380 | -0.000110 | -0.000237 | -0.000293 | 0.000000 | 0.000000 |
231093.000000 | 0.015847 | -0.006301 | 0.003033 | -0.001521 | 0.000666 | -0.000193 | -0.000415 | -0.000515 | 0.000000 | 0.000000 |
100622.000000 | 0.027521 | -0.011078 | 0.005342 | -0.002681 | 0.001173 | -0.000341 | -0.000735 | -0.000906 | 0.000000 | 0.000000 |
44680.200000 | 0.047851 | -0.019638 | 0.009502 | -0.004772 | 0.002090 | -0.000607 | -0.001298 | -0.001620 | 0.000000 | 0.000000 |
20193.300000 | 0.082785 | -0.035028 | 0.017033 | -0.008563 | 0.003748 | -0.001088 | -0.002359 | -0.002890 | 0.000000 | 0.000000 |
9288.980000 | 0.139745 | -0.062129 | 0.030482 | -0.015364 | 0.006735 | -0.001957 | -0.004159 | -0.005236 | 0.000000 | 0.000000 |
4354.730000 | 0.219102 | -0.105670 | 0.052576 | -0.026576 | 0.011642 | -0.003381 | -0.007395 | -0.008950 | 0.000000 | 0.000000 |
2084.750000 | 0.287232 | -0.157698 | 0.080489 | -0.040988 | 0.018025 | -0.005240 | -0.010961 | -0.014130 | 0.000000 | 0.000000 |
1021.270000 | 0.257300 | -0.160919 | 0.084282 | -0.043096 | 0.018889 | -0.005487 | -0.012587 | -0.014226 | 0.000000 | 0.000000 |
512.725000 | 0.112753 | 0.007277 | -0.015444 | 0.009328 | -0.004115 | 0.001196 | 0.004531 | 0.002180 | 0.000000 | 0.000000 |
263.894000 | 0.013412 | 0.369778 | -0.304035 | 0.174971 | -0.079547 | 0.023256 | 0.045555 | 0.065322 | 0.000000 | 0.000000 |
139.042000 | 0.000835 | 0.512399 | -0.550826 | 0.337815 | -0.154509 | 0.045229 | 0.108761 | 0.116925 | 0.000000 | 0.000000 |
74.707100 | -0.000477 | 0.221745 | -0.173152 | 0.113248 | -0.055908 | 0.016553 | 0.011982 | 0.055405 | 0.000000 | 0.000000 |
40.651700 | 0.000308 | 0.021666 | 0.684037 | -0.713619 | 0.381737 | -0.114742 | -0.206069 | -0.349610 | 0.000000 | 0.000000 |
22.167500 | -0.000246 | 0.000702 | 0.606909 | -0.842750 | 0.462597 | -0.139915 | -0.394790 | -0.357919 | 0.000000 | 0.000000 |
11.935500 | 0.000155 | -0.000233 | 0.099905 | 0.425677 | -0.307077 | 0.096232 | 0.375844 | 0.282684 | 0.000000 | 0.000000 |
6.221290 | -0.000083 | -0.000072 | 0.006919 | 0.961791 | -1.015099 | 0.351175 | 0.587496 | 1.226516 | 0.000000 | 0.000000 |
3.061120 | 0.000049 | 0.000009 | -0.001666 | 0.216184 | -0.188012 | 0.058407 | 0.618592 | 0.255369 | 0.000000 | 0.000000 |
1.657100 | -0.000027 | 0.000001 | 0.000939 | -0.007239 | 0.929829 | -0.449043 | -2.451520 | -4.557883 | 0.000000 | 0.000000 |
0.777583 | 0.000009 | 0.000005 | -0.000413 | 0.003929 | 0.547912 | -0.369594 | 0.813707 | 5.217316 | 0.000000 | 0.000000 |
0.252217 | -0.000003 | -0.000001 | 0.000131 | -0.000811 | 0.032676 | 0.249776 | 1.865204 | -2.591293 | 0.000000 | 0.000000 |
0.110146 | 0.000002 | 0.000000 | -0.000072 | 0.000433 | -0.005791 | 0.661443 | -1.092475 | -0.055697 | 0.000000 | 0.000000 |
0.044885 | -0.000000 | -0.000000 | 0.000020 | -0.000117 | 0.001257 | 0.320086 | -0.430643 | 0.943585 | 1.000000 | 0.000000 |
0.018300 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database