MOLPRO Basis Query, element=Mo, basis=AWCVTZ-DK, l=s
Basis Mo s AWCVTZ-DK
Primitives | Contractions... |
162227000.000000 | 0.000043 | -0.000017 | 0.000006 | -0.000002 | 0.000001 | 0.000001 | 0.000002 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
25688100.000000 | 0.000113 | -0.000046 | 0.000016 | -0.000006 | 0.000002 | 0.000003 | 0.000005 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
5428430.000000 | 0.000312 | -0.000127 | 0.000045 | -0.000018 | 0.000005 | 0.000009 | 0.000014 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1432080.000000 | 0.000713 | -0.000290 | 0.000104 | -0.000040 | 0.000011 | 0.000021 | 0.000032 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
446571.000000 | 0.001532 | -0.000625 | 0.000223 | -0.000087 | 0.000024 | 0.000045 | 0.000069 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
157565.000000 | 0.003131 | -0.001280 | 0.000458 | -0.000178 | 0.000049 | 0.000091 | 0.000140 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
60800.400000 | 0.006349 | -0.002609 | 0.000935 | -0.000364 | 0.000099 | 0.000189 | 0.000292 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
25011.800000 | 0.012957 | -0.005363 | 0.001926 | -0.000751 | 0.000205 | 0.000378 | 0.000578 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
10771.000000 | 0.026959 | -0.011307 | 0.004090 | -0.001592 | 0.000435 | 0.000838 | 0.001301 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
4796.840000 | 0.056571 | -0.024255 | 0.008838 | -0.003444 | 0.000941 | 0.001709 | 0.002600 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2193.200000 | 0.115495 | -0.051712 | 0.019222 | -0.007469 | 0.002039 | 0.003990 | 0.006227 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1025.760000 | 0.211817 | -0.102986 | 0.039411 | -0.015324 | 0.004189 | 0.007466 | 0.011290 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
490.164000 | 0.305067 | -0.174900 | 0.071308 | -0.027601 | 0.007544 | 0.015226 | 0.024022 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
239.329000 | 0.272688 | -0.203808 | 0.089996 | -0.035083 | 0.009613 | 0.015512 | 0.022665 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
119.413000 | 0.108599 | -0.052474 | 0.022977 | -0.008845 | 0.002413 | 0.010786 | 0.019879 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
60.819300 | 0.031193 | 0.331587 | -0.230473 | 0.093501 | -0.025825 | -0.063273 | -0.106344 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
31.511300 | 0.033755 | 0.532975 | -0.500374 | 0.221668 | -0.061926 | -0.087152 | -0.126025 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
16.491900 | 0.014476 | 0.245663 | -0.266481 | 0.119010 | -0.033455 | -0.125217 | -0.219524 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
8.616140 | 0.006679 | 0.041816 | 0.467150 | -0.261890 | 0.075898 | 0.265718 | 0.496545 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
4.414150 | 0.006892 | 0.020541 | 0.722683 | -0.695417 | 0.219900 | 0.241330 | 0.393006 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2.162700 | 0.001728 | 0.004537 | 0.173569 | -0.113126 | 0.029775 | 0.414244 | 0.577601 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.046100 | -0.000053 | -0.000294 | 0.001823 | 0.796208 | -0.330387 | -1.549714 | -3.754026 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.476278 | 0.000012 | -0.000105 | 0.002556 | 0.533181 | -0.359859 | 0.279518 | 3.863439 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.126857 | -0.000010 | -0.000025 | -0.000339 | 0.038752 | 0.247802 | 2.319320 | -1.220996 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.063861 | 0.000006 | 0.000012 | 0.000254 | -0.013746 | 0.641033 | -1.439215 | -1.145399 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.028107 | -0.000002 | -0.000004 | -0.000074 | 0.003949 | 0.307147 | -0.505296 | 1.400924 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
2.687300 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
0.652200 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.012400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: K. A. Peterson, D. Figgen, M. Dolg, and H. Stoll, J. Chem. Phys. 126, 124101 (2007)