MOLPRO Basis Query, element=Es, basis=cc-pwCVQZ-DK3, l=f
Basis Es f cc-pwCVQZ-DK3
Primitives | Contractions... |
2405.481000 | 0.000226 | -0.000083 | 0.000088 | 0.000103 | 0.000115 | -0.000130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
798.786530 | 0.002055 | -0.000748 | 0.000793 | 0.000882 | 0.000997 | -0.001634 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
336.453620 | 0.011839 | -0.004345 | 0.004631 | 0.005370 | 0.006031 | -0.007475 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
160.249670 | 0.046725 | -0.017117 | 0.018204 | 0.020375 | 0.022910 | -0.036318 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
81.406476 | 0.131101 | -0.048475 | 0.051794 | 0.060216 | 0.067916 | -0.084649 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
43.165138 | 0.259509 | -0.093255 | 0.098531 | 0.108486 | 0.121955 | -0.199806 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
23.250600 | 0.350036 | -0.114955 | 0.114625 | 0.125175 | 0.119095 | -0.046044 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
12.711158 | 0.298833 | -0.052835 | 0.032832 | -0.005234 | -0.036612 | -0.058299 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.983301 | 0.141836 | 0.121150 | -0.167543 | -0.213889 | -0.296636 | 0.925459 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.794283 | 0.031213 | 0.288710 | -0.347653 | -0.499722 | -0.633903 | -0.296311 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2.032689 | 0.002305 | 0.341152 | -0.251106 | 0.166331 | 1.189320 | -1.551040 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.058791 | 0.000335 | 0.282418 | 0.220850 | 0.765269 | 0.039653 | 2.141850 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.529300 | 0.000056 | 0.175660 | 0.444548 | -0.068676 | -1.009250 | -0.978923 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.249555 | 0.000054 | 0.073693 | 0.322013 | -0.510026 | 0.311599 | -0.408451 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.106001 | 0.000002 | 0.014319 | 0.110548 | -0.301127 | 0.557286 | 0.704719 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
11.926982 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
6.290120 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
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