MOLPRO Basis Query, element=Hg, basis=WCVTZ-DK, l=s
Basis Hg s WCVTZ-DK
Primitives | Contractions... |
58703500000.000000 | 0.000012 | -0.000005 | 0.000002 | -0.000001 | 0.000000 | -0.000000 | -0.000000 | -0.000000 | 0.000000 | 0.000000 | 0.000000 |
7916900000.000000 | 0.000034 | -0.000013 | 0.000006 | -0.000003 | 0.000001 | -0.000000 | -0.000001 | -0.000001 | 0.000000 | 0.000000 | 0.000000 |
1415420000.000000 | 0.000095 | -0.000037 | 0.000018 | -0.000009 | 0.000004 | -0.000001 | -0.000002 | -0.000003 | 0.000000 | 0.000000 | 0.000000 |
317385000.000000 | 0.000218 | -0.000085 | 0.000041 | -0.000020 | 0.000009 | -0.000003 | -0.000006 | -0.000007 | 0.000000 | 0.000000 | 0.000000 |
85139000.000000 | 0.000459 | -0.000179 | 0.000086 | -0.000043 | 0.000019 | -0.000005 | -0.000012 | -0.000015 | 0.000000 | 0.000000 | 0.000000 |
26257000.000000 | 0.000892 | -0.000348 | 0.000167 | -0.000084 | 0.000037 | -0.000011 | -0.000023 | -0.000028 | 0.000000 | 0.000000 | 0.000000 |
9008770.000000 | 0.001651 | -0.000645 | 0.000309 | -0.000155 | 0.000068 | -0.000020 | -0.000042 | -0.000053 | 0.000000 | 0.000000 | 0.000000 |
3348490.000000 | 0.002954 | -0.001156 | 0.000555 | -0.000278 | 0.000122 | -0.000035 | -0.000076 | -0.000094 | 0.000000 | 0.000000 | 0.000000 |
1320410.000000 | 0.005192 | -0.002039 | 0.000979 | -0.000491 | 0.000215 | -0.000062 | -0.000134 | -0.000166 | 0.000000 | 0.000000 | 0.000000 |
543686.000000 | 0.009036 | -0.003567 | 0.001715 | -0.000860 | 0.000376 | -0.000109 | -0.000235 | -0.000291 | 0.000000 | 0.000000 | 0.000000 |
231093.000000 | 0.015692 | -0.006245 | 0.003007 | -0.001508 | 0.000660 | -0.000191 | -0.000411 | -0.000511 | 0.000000 | 0.000000 | 0.000000 |
100622.000000 | 0.027275 | -0.010991 | 0.005302 | -0.002660 | 0.001164 | -0.000337 | -0.000729 | -0.000900 | 0.000000 | 0.000000 | 0.000000 |
44680.200000 | 0.047489 | -0.019511 | 0.009444 | -0.004744 | 0.002076 | -0.000602 | -0.001289 | -0.001611 | 0.000000 | 0.000000 | 0.000000 |
20193.300000 | 0.082288 | -0.034854 | 0.016954 | -0.008524 | 0.003729 | -0.001081 | -0.002347 | -0.002879 | 0.000000 | 0.000000 | 0.000000 |
9288.980000 | 0.139151 | -0.061920 | 0.030389 | -0.015318 | 0.006712 | -0.001947 | -0.004145 | -0.005222 | 0.000000 | 0.000000 | 0.000000 |
4354.730000 | 0.218597 | -0.105491 | 0.052501 | -0.026539 | 0.011622 | -0.003370 | -0.007381 | -0.008946 | 0.000000 | 0.000000 | 0.000000 |
2084.750000 | 0.287255 | -0.157765 | 0.080544 | -0.041018 | 0.018033 | -0.005234 | -0.010966 | -0.014138 | 0.000000 | 0.000000 | 0.000000 |
1021.270000 | 0.258148 | -0.161637 | 0.084694 | -0.043310 | 0.018977 | -0.005502 | -0.012638 | -0.014332 | 0.000000 | 0.000000 | 0.000000 |
512.725000 | 0.113673 | 0.005698 | -0.014441 | 0.008787 | -0.003870 | 0.001121 | 0.004370 | 0.002057 | 0.000000 | 0.000000 | 0.000000 |
263.894000 | 0.013632 | 0.368474 | -0.302895 | 0.174308 | -0.079227 | 0.023127 | 0.045364 | 0.064960 | 0.000000 | 0.000000 | 0.000000 |
139.042000 | 0.000845 | 0.513186 | -0.551348 | 0.338056 | -0.154546 | 0.045152 | 0.108734 | 0.117424 | 0.000000 | 0.000000 | 0.000000 |
74.707100 | -0.000482 | 0.223122 | -0.176247 | 0.115539 | -0.057024 | 0.016874 | 0.012779 | 0.055552 | 0.000000 | 0.000000 | 0.000000 |
40.651700 | 0.000312 | 0.021932 | 0.682529 | -0.711495 | 0.380458 | -0.114195 | -0.205339 | -0.347144 | 0.000000 | 0.000000 | 0.000000 |
22.167500 | -0.000250 | 0.000713 | 0.608876 | -0.845358 | 0.463712 | -0.139934 | -0.395222 | -0.362234 | 0.000000 | 0.000000 | 0.000000 |
11.935500 | 0.000158 | -0.000238 | 0.100797 | 0.421742 | -0.303611 | 0.094831 | 0.372786 | 0.284380 | 0.000000 | 0.000000 | 0.000000 |
6.221290 | -0.000084 | -0.000069 | 0.006967 | 0.963280 | -1.015357 | 0.350707 | 0.587966 | 1.219192 | 0.000000 | 0.000000 | 0.000000 |
3.061120 | 0.000050 | 0.000007 | -0.001667 | 0.217799 | -0.192304 | 0.059657 | 0.621977 | 0.279717 | 0.000000 | 0.000000 | 0.000000 |
1.657100 | -0.000027 | 0.000002 | 0.000940 | -0.007314 | 0.929102 | -0.446752 | -2.445959 | -4.579963 | 0.000000 | 0.000000 | 0.000000 |
0.777583 | 0.000009 | 0.000004 | -0.000414 | 0.003991 | 0.550212 | -0.370982 | 0.800755 | 5.215338 | 0.000000 | 0.000000 | 0.000000 |
0.252217 | -0.000003 | -0.000001 | 0.000131 | -0.000828 | 0.033079 | 0.246499 | 1.869460 | -2.568925 | 0.000000 | 0.000000 | 0.000000 |
0.110146 | 0.000002 | 0.000000 | -0.000072 | 0.000442 | -0.005911 | 0.661475 | -1.086211 | -0.078794 | 0.000000 | 0.000000 | 0.000000 |
0.044885 | -0.000000 | 0.000000 | 0.000020 | -0.000119 | 0.001287 | 0.322684 | -0.434936 | 0.951349 | 1.000000 | 0.000000 | 0.000000 |
4.074400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
1.170400 | 0.000000 | 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