MOLPRO Basis Query, element=Hf, basis=AWCVTZ-DK, l=s
Basis Hf s AWCVTZ-DK
Primitives | Contractions... |
12093520000.000000 | 0.000004 | 0.000020 | 0.000004 | -0.000002 | 0.000001 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1755709000.000000 | 0.000011 | 0.000053 | 0.000010 | -0.000006 | 0.000002 | -0.000000 | -0.000001 | -0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
340512700.000000 | 0.000029 | 0.000143 | 0.000025 | -0.000015 | 0.000005 | -0.000001 | -0.000002 | -0.000003 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
83195530.000000 | 0.000063 | 0.000315 | 0.000056 | -0.000033 | 0.000010 | -0.000003 | -0.000005 | -0.000007 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
24357080.000000 | 0.000127 | 0.000635 | 0.000113 | -0.000068 | 0.000021 | -0.000006 | -0.000009 | -0.000014 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
8193356.000000 | 0.000235 | 0.001184 | 0.000211 | -0.000126 | 0.000039 | -0.000010 | -0.000018 | -0.000027 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3058833.000000 | 0.000419 | 0.002116 | 0.000379 | -0.000226 | 0.000070 | -0.000019 | -0.000031 | -0.000048 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1232418.000000 | 0.000724 | 0.003675 | 0.000660 | -0.000393 | 0.000121 | -0.000033 | -0.000055 | -0.000084 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
524247.600000 | 0.001238 | 0.006324 | 0.001141 | -0.000679 | 0.000210 | -0.000056 | -0.000094 | -0.000144 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
231573.900000 | 0.002104 | 0.010863 | 0.001974 | -0.001174 | 0.000363 | -0.000097 | -0.000164 | -0.000254 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
104968.200000 | 0.003583 | 0.018802 | 0.003452 | -0.002052 | 0.000635 | -0.000170 | -0.000284 | -0.000430 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
48443.570000 | 0.006099 | 0.032858 | 0.006134 | -0.003643 | 0.001127 | -0.000302 | -0.000511 | -0.000797 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
22661.400000 | 0.010323 | 0.057963 | 0.011089 | -0.006575 | 0.002035 | -0.000547 | -0.000904 | -0.001359 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
10726.330000 | 0.016900 | 0.102104 | 0.020344 | -0.012040 | 0.003724 | -0.001000 | -0.001702 | -0.002682 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
5138.808000 | 0.025212 | 0.174522 | 0.037081 | -0.021877 | 0.006780 | -0.001822 | -0.002984 | -0.004420 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2496.078000 | 0.028876 | 0.271022 | 0.064261 | -0.037782 | 0.011705 | -0.003142 | -0.005424 | -0.008715 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1232.232000 | 0.014434 | 0.334905 | 0.093584 | -0.054873 | 0.017090 | -0.004598 | -0.007308 | -0.010306 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
619.795100 | -0.000148 | 0.251303 | 0.078557 | -0.046224 | 0.014348 | -0.003844 | -0.007383 | -0.013546 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
318.236100 | 0.109346 | 0.008756 | -0.082947 | 0.051151 | -0.016336 | 0.004376 | 0.009581 | 0.019960 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
166.906900 | 0.347056 | -0.211876 | -0.415940 | 0.275685 | -0.091388 | 0.024720 | 0.036307 | 0.044244 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
89.303100 | 0.328926 | -0.209448 | -0.533465 | 0.390126 | -0.132581 | 0.035762 | 0.071505 | 0.136799 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
48.556680 | 0.124494 | -0.073056 | 0.012070 | -0.040714 | 0.014786 | -0.003821 | -0.030102 | -0.101350 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
26.640030 | 0.094892 | -0.035937 | 0.648893 | -0.923000 | 0.400595 | -0.110984 | -0.143705 | -0.129133 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
14.586140 | 0.052261 | -0.018816 | 0.380526 | -0.683265 | 0.299548 | -0.082271 | -0.215789 | -0.506795 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
7.846900 | 0.011458 | -0.003853 | 0.134711 | 0.595911 | -0.383204 | 0.108754 | 0.311340 | 0.790379 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
4.062263 | 0.006834 | -0.002101 | 0.113271 | 0.833631 | -0.799477 | 0.247815 | 0.249478 | 0.030455 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.970383 | 0.001162 | -0.000374 | 0.019593 | 0.154130 | -0.081265 | 0.022482 | 0.363697 | 1.220545 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.974993 | -0.000024 | 0.000014 | -0.000355 | -0.002555 | 0.827452 | -0.332408 | -1.288652 | -4.234797 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.449395 | -0.000010 | 0.000001 | -0.000084 | 0.002130 | 0.522397 | -0.384820 | -0.050372 | 3.802694 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.122674 | -0.000001 | 0.000001 | -0.000015 | -0.000457 | 0.030880 | 0.274220 | 2.562387 | -0.447533 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.062141 | 0.000000 | -0.000001 | 0.000002 | 0.000292 | -0.012940 | 0.656826 | -1.513281 | -2.088291 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.027850 | 0.000000 | 0.000000 | -0.000002 | -0.000094 | 0.001979 | 0.279988 | -0.551804 | 1.759596 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
2.160400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
0.556800 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.012500 | 0.000000 | 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