MOLPRO Basis Query, element=Hf, basis=aug-cc-pVTZ-DK3, l=s
Basis Hf s aug-cc-pVTZ-DK3
Primitives | Contractions... |
12093520000.000000 | 0.000003 | 0.000017 | 0.000003 | -0.000002 | 0.000001 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1755709000.000000 | 0.000010 | 0.000050 | 0.000009 | -0.000005 | 0.000002 | -0.000000 | -0.000001 | -0.000001 | 0.000000 | 0.000000 |
340512700.000000 | 0.000028 | 0.000137 | 0.000024 | -0.000015 | 0.000005 | -0.000001 | -0.000002 | -0.000003 | 0.000000 | 0.000000 |
83195530.000000 | 0.000062 | 0.000309 | 0.000055 | -0.000033 | 0.000010 | -0.000003 | -0.000005 | -0.000007 | 0.000000 | 0.000000 |
24357080.000000 | 0.000127 | 0.000630 | 0.000113 | -0.000067 | 0.000021 | -0.000006 | -0.000009 | -0.000014 | 0.000000 | 0.000000 |
8193356.000000 | 0.000238 | 0.001184 | 0.000212 | -0.000126 | 0.000039 | -0.000010 | -0.000018 | -0.000027 | 0.000000 | 0.000000 |
3058833.000000 | 0.000426 | 0.002124 | 0.000380 | -0.000227 | 0.000070 | -0.000019 | -0.000031 | -0.000048 | 0.000000 | 0.000000 |
1232418.000000 | 0.000740 | 0.003699 | 0.000665 | -0.000396 | 0.000122 | -0.000033 | -0.000055 | -0.000085 | 0.000000 | 0.000000 |
524247.600000 | 0.001265 | 0.006368 | 0.001149 | -0.000684 | 0.000211 | -0.000057 | -0.000095 | -0.000145 | 0.000000 | 0.000000 |
231573.900000 | 0.002151 | 0.010943 | 0.001989 | -0.001183 | 0.000366 | -0.000098 | -0.000165 | -0.000256 | 0.000000 | 0.000000 |
104968.200000 | 0.003661 | 0.018924 | 0.003475 | -0.002065 | 0.000639 | -0.000172 | -0.000285 | -0.000433 | 0.000000 | 0.000000 |
48443.570000 | 0.006231 | 0.033043 | 0.006169 | -0.003664 | 0.001133 | -0.000304 | -0.000514 | -0.000801 | 0.000000 | 0.000000 |
22661.400000 | 0.010540 | 0.058223 | 0.011138 | -0.006605 | 0.002044 | -0.000550 | -0.000907 | -0.001365 | 0.000000 | 0.000000 |
10726.330000 | 0.017254 | 0.102445 | 0.020412 | -0.012081 | 0.003737 | -0.001004 | -0.001707 | -0.002690 | 0.000000 | 0.000000 |
5138.808000 | 0.025761 | 0.174883 | 0.037163 | -0.021926 | 0.006795 | -0.001828 | -0.002989 | -0.004430 | 0.000000 | 0.000000 |
2496.078000 | 0.029639 | 0.271222 | 0.064323 | -0.037823 | 0.011718 | -0.003148 | -0.005428 | -0.008720 | 0.000000 | 0.000000 |
1232.232000 | 0.015304 | 0.334593 | 0.093513 | -0.054839 | 0.017079 | -0.004598 | -0.007299 | -0.010300 | 0.000000 | 0.000000 |
619.795100 | 0.000674 | 0.250349 | 0.078149 | -0.045995 | 0.014276 | -0.003828 | -0.007352 | -0.013486 | 0.000000 | 0.000000 |
318.236100 | 0.110042 | 0.007493 | -0.083791 | 0.051698 | -0.016515 | 0.004429 | 0.009667 | 0.020061 | 0.000000 | 0.000000 |
166.906900 | 0.346896 | -0.213041 | -0.416524 | 0.276221 | -0.091574 | 0.024784 | 0.036357 | 0.044413 | 0.000000 | 0.000000 |
89.303100 | 0.327756 | -0.209851 | -0.532515 | 0.389668 | -0.132463 | 0.035765 | 0.071469 | 0.136591 | 0.000000 | 0.000000 |
48.556680 | 0.123921 | -0.073087 | 0.014111 | -0.042741 | 0.015582 | -0.004062 | -0.030549 | -0.101696 | 0.000000 | 0.000000 |
26.640030 | 0.094741 | -0.036237 | 0.648948 | -0.924071 | 0.401237 | -0.111209 | -0.143785 | -0.130010 | 0.000000 | 0.000000 |
14.586140 | 0.052046 | -0.018939 | 0.379319 | -0.680911 | 0.298579 | -0.082128 | -0.215545 | -0.505241 | 0.000000 | 0.000000 |
7.846900 | 0.011410 | -0.003878 | 0.134719 | 0.598038 | -0.385112 | 0.109503 | 0.312673 | 0.790763 | 0.000000 | 0.000000 |
4.062263 | 0.006805 | -0.002111 | 0.113242 | 0.832349 | -0.799198 | 0.247821 | 0.248636 | 0.032099 | 0.000000 | 0.000000 |
1.970383 | 0.001153 | -0.000375 | 0.019510 | 0.153246 | -0.078743 | 0.021900 | 0.363147 | 1.213769 | 0.000000 | 0.000000 |
0.974993 | -0.000024 | 0.000014 | -0.000354 | -0.002508 | 0.828134 | -0.333769 | -1.291744 | -4.232341 | 0.000000 | 0.000000 |
0.449395 | -0.000010 | 0.000001 | -0.000086 | 0.002110 | 0.520753 | -0.383799 | -0.044691 | 3.810062 | 0.000000 | 0.000000 |
0.122674 | -0.000001 | 0.000001 | -0.000015 | -0.000447 | 0.030581 | 0.276794 | 2.562237 | -0.465574 | 0.000000 | 0.000000 |
0.062141 | 0.000000 | -0.000001 | 0.000002 | 0.000285 | -0.012801 | 0.655906 | -1.518665 | -2.070128 | 0.000000 | 0.000000 |
0.027850 | 0.000000 | 0.000000 | -0.000002 | -0.000092 | 0.001947 | 0.278653 | -0.548874 | 1.753963 | 1.000000 | 0.000000 |
0.012500 | 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