MOLPRO Basis Query, element=No, basis=cc-pwCVTZ-DK3, l=d
Basis No d cc-pwCVTZ-DK3
Primitives | Contractions... |
146342.340000 | 0.000027 | -0.000012 | 0.000007 | -0.000002 | -0.000003 | -0.000005 | 0.000004 | 0.000000 | 0.000000 | 0.000000 |
34110.548000 | 0.000161 | -0.000072 | 0.000042 | -0.000010 | -0.000021 | -0.000027 | 0.000032 | 0.000000 | 0.000000 | 0.000000 |
10890.811000 | 0.000790 | -0.000355 | 0.000206 | -0.000047 | -0.000104 | -0.000138 | 0.000123 | 0.000000 | 0.000000 | 0.000000 |
4156.937200 | 0.003403 | -0.001536 | 0.000890 | -0.000204 | -0.000439 | -0.000584 | 0.000696 | 0.000000 | 0.000000 | 0.000000 |
1792.796300 | 0.012969 | -0.005908 | 0.003430 | -0.000789 | -0.001738 | -0.002300 | 0.002019 | 0.000000 | 0.000000 | 0.000000 |
843.003210 | 0.042569 | -0.019605 | 0.011364 | -0.002611 | -0.005611 | -0.007460 | 0.008948 | 0.000000 | 0.000000 | 0.000000 |
421.658140 | 0.115953 | -0.054535 | 0.031701 | -0.007295 | -0.016106 | -0.021302 | 0.018340 | 0.000000 | 0.000000 | 0.000000 |
220.867860 | 0.243649 | -0.115328 | 0.066864 | -0.015376 | -0.032895 | -0.043880 | 0.055509 | 0.000000 | 0.000000 | 0.000000 |
119.314990 | 0.362316 | -0.164344 | 0.095528 | -0.021968 | -0.049453 | -0.065679 | 0.043923 | 0.000000 | 0.000000 | 0.000000 |
66.007879 | 0.320089 | -0.076931 | 0.038833 | -0.008392 | -0.014654 | -0.020467 | 0.077537 | 0.000000 | 0.000000 | 0.000000 |
36.796702 | 0.120512 | 0.216520 | -0.141564 | 0.034279 | 0.069059 | 0.101546 | -0.233266 | 0.000000 | 0.000000 | 0.000000 |
20.389226 | -0.026748 | 0.475495 | -0.313890 | 0.075864 | 0.182332 | 0.243724 | -0.032524 | 0.000000 | 0.000000 | 0.000000 |
11.375694 | -0.038169 | 0.356889 | -0.142950 | 0.029012 | 0.035438 | 0.063517 | -0.506848 | 1.000000 | 0.000000 | 0.000000 |
6.240635 | -0.010168 | 0.094567 | 0.345719 | -0.104350 | -0.197038 | -0.394932 | 1.463950 | 0.000000 | 1.000000 | 0.000000 |
3.308150 | -0.000360 | 0.004255 | 0.531403 | -0.159251 | -0.508186 | -0.887971 | -0.556311 | 0.000000 | 0.000000 | 0.000000 |
1.668018 | 0.000168 | -0.000650 | 0.278449 | -0.020042 | 0.260313 | 1.746590 | -1.397600 | 0.000000 | 0.000000 | 0.000000 |
0.752479 | 0.000032 | -0.000223 | 0.045656 | 0.237595 | 0.863815 | -0.481795 | 2.142150 | 0.000000 | 0.000000 | 0.000000 |
0.311994 | -0.000002 | 0.000033 | 0.000552 | 0.428219 | -0.131822 | -0.842513 | -1.499780 | 0.000000 | 0.000000 | 0.000000 |
0.120514 | 0.000001 | -0.000012 | 0.000618 | 0.414338 | -0.502946 | 0.560480 | 0.203857 | 0.000000 | 0.000000 | 0.000000 |
0.043467 | -0.000000 | 0.000005 | -0.000124 | 0.178086 | -0.196749 | 0.232087 | 0.516391 | 0.000000 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)