MOLPRO Basis Query, element=Xe, basis=aug-cc-pwCVQZ-DK, l=s
Basis Xe s aug-cc-pwCVQZ-DK
Primitives | Contractions... |
699710000.000000 | 0.000039 | -0.000014 | 0.000006 | -0.000003 | 0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
103449300.000000 | 0.000104 | -0.000036 | 0.000016 | -0.000007 | 0.000003 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
22294780.000000 | 0.000257 | -0.000090 | 0.000040 | -0.000018 | 0.000007 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6379236.000000 | 0.000507 | -0.000177 | 0.000079 | -0.000036 | 0.000013 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2242793.000000 | 0.000919 | -0.000321 | 0.000144 | -0.000066 | 0.000023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
909865.200000 | 0.001548 | -0.000542 | 0.000244 | -0.000111 | 0.000040 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
405321.700000 | 0.002590 | -0.000909 | 0.000409 | -0.000186 | 0.000067 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
190935.300000 | 0.004333 | -0.001527 | 0.000687 | -0.000313 | 0.000112 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
92562.110000 | 0.007464 | -0.002645 | 0.001191 | -0.000543 | 0.000194 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45353.760000 | 0.013213 | -0.004723 | 0.002130 | -0.000972 | 0.000347 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
22232.120000 | 0.024211 | -0.008769 | 0.003961 | -0.001809 | 0.000646 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
10861.240000 | 0.045468 | -0.016823 | 0.007627 | -0.003484 | 0.001242 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
5294.779000 | 0.085937 | -0.032968 | 0.015021 | -0.006872 | 0.002454 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2588.383000 | 0.155864 | -0.063748 | 0.029349 | -0.013449 | 0.004798 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1278.125000 | 0.248463 | -0.114127 | 0.053484 | -0.024622 | 0.008808 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
642.761400 | 0.299365 | -0.167673 | 0.081337 | -0.037681 | 0.013459 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
331.779600 | 0.217704 | -0.151515 | 0.076882 | -0.036077 | 0.013000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
176.845700 | 0.069738 | 0.036008 | -0.025287 | 0.012710 | -0.004770 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
97.621020 | 0.006826 | 0.350350 | -0.260883 | 0.132532 | -0.047968 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
55.718400 | 0.000103 | 0.459472 | -0.447783 | 0.243581 | -0.090861 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
32.637290 | 0.000250 | 0.254577 | -0.287952 | 0.162039 | -0.059007 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
19.333080 | -0.000275 | 0.058223 | 0.231970 | -0.149570 | 0.054135 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.314500 | 0.000125 | 0.003799 | 0.708788 | -0.732191 | 0.207803 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.327970 | -0.000084 | 0.000544 | 0.403209 | -0.502908 | -0.194046 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.234550 | 0.000049 | -0.000390 | 0.045288 | 0.568555 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.713391 | -0.000024 | 0.000044 | 0.001319 | 0.788428 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.859686 | 0.000014 | -0.000064 | 0.000373 | 0.169401 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.445261 | -0.000007 | 0.000034 | -0.000073 | -0.000454 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
0.207680 | 0.000002 | -0.000008 | -0.000055 | 0.002307 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
0.094504 | -0.000001 | 0.000003 | -0.000001 | -0.000157 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.034925 | 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: D.H. Bross and K.A. Peterson, Theor. Chem. Acc. 133, 1434(2013)