MOLPRO Basis Query, element=Rn, basis=aug-cc-pVTZ-DK3, l=s
Basis Rn s aug-cc-pVTZ-DK3
Primitives | Contractions... |
339861200.000000 | 0.000455 | -0.000183 | 0.000089 | -0.000045 | -0.000021 | -0.000008 | 0.000000 | 0.000000 | 0.000000 |
104534400.000000 | 0.000304 | -0.000122 | 0.000059 | -0.000030 | -0.000014 | -0.000005 | 0.000000 | 0.000000 | 0.000000 |
34849220.000000 | 0.001177 | -0.000474 | 0.000230 | -0.000117 | -0.000055 | -0.000021 | 0.000000 | 0.000000 | 0.000000 |
12400340.000000 | 0.001657 | -0.000667 | 0.000323 | -0.000165 | -0.000078 | -0.000030 | 0.000000 | 0.000000 | 0.000000 |
4651312.000000 | 0.003440 | -0.001387 | 0.000672 | -0.000343 | -0.000161 | -0.000062 | 0.000000 | 0.000000 | 0.000000 |
1821152.000000 | 0.005648 | -0.002283 | 0.001107 | -0.000565 | -0.000265 | -0.000103 | 0.000000 | 0.000000 | 0.000000 |
738718.100000 | 0.010188 | -0.004138 | 0.002007 | -0.001025 | -0.000482 | -0.000186 | 0.000000 | 0.000000 | 0.000000 |
308731.600000 | 0.017158 | -0.007021 | 0.003410 | -0.001743 | -0.000819 | -0.000316 | 0.000000 | 0.000000 | 0.000000 |
132436.500000 | 0.029639 | -0.012274 | 0.005973 | -0.003053 | -0.001434 | -0.000554 | 0.000000 | 0.000000 | 0.000000 |
58174.140000 | 0.049945 | -0.021075 | 0.010291 | -0.005266 | -0.002475 | -0.000956 | 0.000000 | 0.000000 | 0.000000 |
26134.120000 | 0.084158 | -0.036555 | 0.017935 | -0.009186 | -0.004317 | -0.001667 | 0.000000 | 0.000000 | 0.000000 |
12002.160000 | 0.137175 | -0.062413 | 0.030885 | -0.015862 | -0.007464 | -0.002882 | 0.000000 | 0.000000 | 0.000000 |
5635.505000 | 0.210073 | -0.102803 | 0.051529 | -0.026525 | -0.012475 | -0.004822 | 0.000000 | 0.000000 | 0.000000 |
2706.304000 | 0.274857 | -0.150516 | 0.077167 | -0.040015 | -0.018890 | -0.007293 | 0.000000 | 0.000000 | 0.000000 |
1329.567000 | 0.259549 | -0.157841 | 0.082531 | -0.042859 | -0.020161 | -0.007811 | 0.000000 | 0.000000 | 0.000000 |
668.183700 | 0.130026 | -0.014411 | -0.002913 | 0.002767 | 0.001325 | 0.000572 | 0.000000 | 0.000000 | 0.000000 |
343.248200 | 0.020586 | 0.329416 | -0.270072 | 0.158364 | 0.077427 | 0.030010 | 0.000000 | 0.000000 | 0.000000 |
179.931000 | 0.000841 | 0.519421 | -0.545068 | 0.338559 | 0.166542 | 0.065288 | 0.000000 | 0.000000 | 0.000000 |
95.962700 | -0.000311 | 0.255931 | -0.237693 | 0.159992 | 0.083769 | 0.032346 | 0.000000 | 0.000000 | 0.000000 |
51.836540 | 0.000220 | 0.028201 | 0.644204 | -0.681453 | -0.394112 | -0.157456 | 0.000000 | 0.000000 | 0.000000 |
28.180050 | -0.000210 | 0.001246 | 0.645786 | -0.905628 | -0.542785 | -0.224175 | 0.000000 | 0.000000 | 0.000000 |
15.286970 | 0.000149 | -0.000569 | 0.116038 | 0.355846 | 0.284518 | 0.126487 | 0.000000 | 0.000000 | 0.000000 |
8.184937 | -0.000091 | 0.000151 | 0.009670 | 0.980161 | 1.142450 | 0.538847 | 0.000000 | 0.000000 | 0.000000 |
4.266501 | 0.000059 | -0.000136 | -0.003066 | 0.258973 | 0.260924 | 0.133102 | 0.000000 | 0.000000 | 0.000000 |
2.339433 | -0.000033 | 0.000085 | 0.001767 | 0.000569 | -0.979773 | -0.717854 | 0.000000 | 0.000000 | 0.000000 |
1.193079 | 0.000013 | -0.000026 | -0.000820 | 0.003522 | -0.586629 | -0.560637 | 0.000000 | 0.000000 | 0.000000 |
0.425966 | -0.000005 | 0.000010 | 0.000309 | -0.000794 | -0.033969 | 0.639259 | 1.000000 | 0.000000 | 0.000000 |
0.207480 | 0.000003 | -0.000007 | -0.000192 | 0.000424 | 0.007919 | 0.551428 | 0.000000 | 0.000000 | 0.000000 |
0.111124 | -0.000001 | 0.000002 | 0.000064 | -0.000150 | -0.002182 | 0.205956 | 0.000000 | 1.000000 | 0.000000 |
0.049066 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: D.H. Bross and K.A. Peterson, Theor. Chem. Acc. 133, 1434(2013)