MOLPRO Basis Query, element=No, basis=cc-pwCVTZ-X2C, l=d
Basis No d cc-pwCVTZ-X2C
Primitives | Contractions... |
146342.340000 | 0.000023 | -0.000010 | 0.000006 | 0.000001 | -0.000003 | -0.000004 | 0.000004 | 0.000000 | 0.000000 | 0.000000 |
34110.548000 | 0.000149 | -0.000067 | 0.000039 | 0.000009 | -0.000019 | -0.000025 | 0.000030 | 0.000000 | 0.000000 | 0.000000 |
10890.811000 | 0.000760 | -0.000342 | 0.000198 | 0.000046 | -0.000100 | -0.000133 | 0.000118 | 0.000000 | 0.000000 | 0.000000 |
4156.937200 | 0.003352 | -0.001513 | 0.000877 | 0.000201 | -0.000433 | -0.000575 | 0.000688 | 0.000000 | 0.000000 | 0.000000 |
1792.796300 | 0.012917 | -0.005884 | 0.003417 | 0.000786 | -0.001732 | -0.002291 | 0.002010 | 0.000000 | 0.000000 | 0.000000 |
843.003210 | 0.042549 | -0.019593 | 0.011359 | 0.002611 | -0.005608 | -0.007456 | 0.008948 | 0.000000 | 0.000000 | 0.000000 |
421.658140 | 0.115974 | -0.054534 | 0.031707 | 0.007299 | -0.016110 | -0.021305 | 0.018340 | 0.000000 | 0.000000 | 0.000000 |
220.867860 | 0.243693 | -0.115322 | 0.066875 | 0.015383 | -0.032900 | -0.043883 | 0.055531 | 0.000000 | 0.000000 | 0.000000 |
119.314990 | 0.362348 | -0.164313 | 0.095531 | 0.021975 | -0.049457 | -0.065676 | 0.043900 | 0.000000 | 0.000000 | 0.000000 |
66.007879 | 0.320079 | -0.076875 | 0.038818 | 0.008391 | -0.014643 | -0.020454 | 0.077587 | 0.000000 | 0.000000 | 0.000000 |
36.796702 | 0.120466 | 0.216569 | -0.141587 | -0.034293 | 0.069066 | 0.101545 | -0.233394 | 0.000000 | 0.000000 | 0.000000 |
20.389226 | -0.026802 | 0.475501 | -0.313895 | -0.075886 | 0.182351 | 0.243707 | -0.032302 | 0.000000 | 0.000000 | 0.000000 |
11.375694 | -0.038201 | 0.356854 | -0.142911 | -0.029008 | 0.035402 | 0.063541 | -0.507444 | 1.000000 | 0.000000 | 0.000000 |
6.240635 | -0.010175 | 0.094550 | 0.345761 | 0.104390 | -0.197039 | -0.395019 | 1.465290 | 0.000000 | 1.000000 | 0.000000 |
3.308150 | -0.000360 | 0.004254 | 0.531396 | 0.159296 | -0.508306 | -0.888011 | -0.557948 | 0.000000 | 0.000000 | 0.000000 |
1.668018 | 0.000168 | -0.000650 | 0.278413 | 0.020018 | 0.260593 | 1.747090 | -1.396720 | 0.000000 | 0.000000 | 0.000000 |
0.752479 | 0.000032 | -0.000223 | 0.045648 | -0.237691 | 0.863795 | -0.482541 | 2.142590 | 0.000000 | 0.000000 | 0.000000 |
0.311994 | -0.000002 | 0.000033 | 0.000551 | -0.428346 | -0.132158 | -0.842266 | -1.501280 | 0.000000 | 0.000000 | 0.000000 |
0.120514 | 0.000001 | -0.000012 | 0.000618 | -0.414303 | -0.503061 | 0.560987 | 0.205662 | 0.000000 | 0.000000 | 0.000000 |
0.043467 | -0.000000 | 0.000005 | -0.000124 | -0.177816 | -0.196516 | 0.231700 | 0.515471 | 0.000000 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
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