MOLPRO Basis Query, element=Re, basis=WCVTZ-DK, l=s
Basis Re s WCVTZ-DK
Primitives | Contractions... |
22031900000.000000 | 0.000016 | -0.000007 | 0.000003 | -0.000002 | 0.000001 | -0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3184241000.000000 | 0.000041 | -0.000018 | 0.000008 | -0.000005 | 0.000002 | -0.000000 | -0.000001 | -0.000001 | 0.000000 | 0.000000 | 0.000000 |
606595700.000000 | 0.000112 | -0.000049 | 0.000021 | -0.000012 | 0.000004 | -0.000001 | -0.000002 | -0.000003 | 0.000000 | 0.000000 | 0.000000 |
144151100.000000 | 0.000252 | -0.000109 | 0.000048 | -0.000028 | 0.000009 | -0.000003 | -0.000004 | -0.000007 | 0.000000 | 0.000000 | 0.000000 |
40775010.000000 | 0.000520 | -0.000225 | 0.000098 | -0.000057 | 0.000019 | -0.000006 | -0.000009 | -0.000014 | 0.000000 | 0.000000 | 0.000000 |
13198790.000000 | 0.000992 | -0.000430 | 0.000187 | -0.000109 | 0.000037 | -0.000011 | -0.000018 | -0.000027 | 0.000000 | 0.000000 | 0.000000 |
4733085.000000 | 0.001811 | -0.000786 | 0.000342 | -0.000200 | 0.000068 | -0.000020 | -0.000032 | -0.000049 | 0.000000 | 0.000000 | 0.000000 |
1831720.000000 | 0.003207 | -0.001394 | 0.000608 | -0.000356 | 0.000121 | -0.000035 | -0.000058 | -0.000088 | 0.000000 | 0.000000 | 0.000000 |
749492.100000 | 0.005602 | -0.002444 | 0.001068 | -0.000624 | 0.000212 | -0.000061 | -0.000101 | -0.000154 | 0.000000 | 0.000000 | 0.000000 |
319255.000000 | 0.009725 | -0.004265 | 0.001869 | -0.001092 | 0.000370 | -0.000107 | -0.000177 | -0.000271 | 0.000000 | 0.000000 | 0.000000 |
140006.800000 | 0.016915 | -0.007478 | 0.003289 | -0.001921 | 0.000652 | -0.000189 | -0.000309 | -0.000470 | 0.000000 | 0.000000 | 0.000000 |
62750.060000 | 0.029550 | -0.013227 | 0.005854 | -0.003415 | 0.001158 | -0.000335 | -0.000555 | -0.000854 | 0.000000 | 0.000000 | 0.000000 |
28622.510000 | 0.051839 | -0.023649 | 0.010560 | -0.006152 | 0.002088 | -0.000604 | -0.000986 | -0.001494 | 0.000000 | 0.000000 | 0.000000 |
13264.580000 | 0.090391 | -0.042532 | 0.019269 | -0.011206 | 0.003801 | -0.001100 | -0.001830 | -0.002833 | 0.000000 | 0.000000 | 0.000000 |
6246.701000 | 0.152461 | -0.075450 | 0.034970 | -0.020282 | 0.006892 | -0.001995 | -0.003233 | -0.004860 | 0.000000 | 0.000000 | 0.000000 |
2993.654000 | 0.233254 | -0.125834 | 0.060557 | -0.035000 | 0.011886 | -0.003439 | -0.005787 | -0.009059 | 0.000000 | 0.000000 | 0.000000 |
1462.978000 | 0.284602 | -0.176061 | 0.089589 | -0.051659 | 0.017632 | -0.005105 | -0.008094 | -0.011880 | 0.000000 | 0.000000 | 0.000000 |
730.544800 | 0.220416 | -0.151424 | 0.080628 | -0.046539 | 0.015815 | -0.004577 | -0.008303 | -0.013947 | 0.000000 | 0.000000 | 0.000000 |
373.284800 | 0.080166 | 0.061247 | -0.062177 | 0.037524 | -0.013046 | 0.003788 | 0.008100 | 0.015411 | 0.000000 | 0.000000 | 0.000000 |
195.199900 | 0.021999 | 0.395808 | -0.385248 | 0.247887 | -0.089362 | 0.025990 | 0.038542 | 0.052557 | 0.000000 | 0.000000 | 0.000000 |
104.280500 | 0.014141 | 0.422553 | -0.545173 | 0.383917 | -0.141004 | 0.041131 | 0.077698 | 0.135185 | 0.000000 | 0.000000 | 0.000000 |
56.669970 | 0.008787 | 0.160422 | -0.047358 | 0.015934 | -0.007159 | 0.002052 | -0.017027 | -0.058862 | 0.000000 | 0.000000 | 0.000000 |
31.095900 | 0.021088 | 0.080441 | 0.659131 | -0.868868 | 0.400247 | -0.119180 | -0.160226 | -0.197708 | 0.000000 | 0.000000 | 0.000000 |
17.036660 | 0.013745 | 0.046733 | 0.440265 | -0.753675 | 0.354183 | -0.106250 | -0.245233 | -0.481591 | 0.000000 | 0.000000 | 0.000000 |
9.175137 | 0.002815 | 0.008881 | 0.124573 | 0.543465 | -0.363665 | 0.113116 | 0.305677 | 0.672146 | 0.000000 | 0.000000 | 0.000000 |
4.757896 | 0.001394 | 0.004126 | 0.094078 | 0.883053 | -0.882200 | 0.295807 | 0.338497 | 0.385913 | 0.000000 | 0.000000 | 0.000000 |
2.313968 | 0.000232 | 0.000689 | 0.016484 | 0.172119 | -0.105146 | 0.035735 | 0.411033 | 0.927617 | 0.000000 | 0.000000 | 0.000000 |
1.194062 | -0.000006 | -0.000007 | -0.000493 | -0.006275 | 0.864225 | -0.401677 | -1.512883 | -4.273312 | 0.000000 | 0.000000 | 0.000000 |
0.557291 | -0.000006 | -0.000013 | -0.000279 | 0.001628 | 0.523475 | -0.376653 | 0.091657 | 4.023700 | 0.000000 | 0.000000 | 0.000000 |
0.167995 | 0.000000 | 0.000002 | 0.000001 | -0.000623 | 0.034706 | 0.278420 | 2.150928 | -0.755820 | 0.000000 | 0.000000 | 0.000000 |
0.078112 | -0.000000 | -0.000001 | -0.000012 | 0.000336 | -0.008400 | 0.667226 | -1.018101 | -1.690166 | 0.000000 | 0.000000 | 0.000000 |
0.033612 | 0.000000 | 0.000000 | 0.000003 | -0.000101 | 0.002370 | 0.279943 | -0.679600 | 1.525018 | 1.000000 | 0.000000 | 0.000000 |
2.736500 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.724300 | 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