MOLPRO Basis Query, element=Lr, basis=cc-pwCVTZ-X2C, l=f
Basis Lr f cc-pwCVTZ-X2C
Primitives | Contractions... |
1608.757200 | 0.000735 | -0.000290 | 0.000330 | -0.000333 | 0.000423 | 0.000000 | 0.000000 | 0.000000 |
536.774030 | 0.006498 | -0.002595 | 0.002968 | -0.003035 | 0.003489 | 0.000000 | 0.000000 | 0.000000 |
226.498000 | 0.034136 | -0.013595 | 0.015523 | -0.015714 | 0.019572 | 0.000000 | 0.000000 | 0.000000 |
106.573210 | 0.115206 | -0.046388 | 0.053268 | -0.054617 | 0.063169 | 0.000000 | 0.000000 | 0.000000 |
53.366059 | 0.261001 | -0.102805 | 0.116964 | -0.118192 | 0.150025 | 0.000000 | 0.000000 | 0.000000 |
27.421539 | 0.376547 | -0.135642 | 0.142670 | -0.129391 | 0.109455 | 0.000000 | 0.000000 | 0.000000 |
14.424674 | 0.316968 | -0.055192 | 0.023894 | 0.017743 | -0.008468 | 0.000000 | 0.000000 | 0.000000 |
7.676857 | 0.134245 | 0.165347 | -0.249765 | 0.304024 | -0.557348 | 0.000000 | 0.000000 | 0.000000 |
4.041716 | 0.023664 | 0.343993 | -0.426376 | 0.449947 | -0.158566 | 0.000000 | 0.000000 | 0.000000 |
2.088018 | 0.001428 | 0.359449 | -0.072628 | -0.606704 | 1.192700 | 0.000000 | 0.000000 | 0.000000 |
1.041385 | 0.000419 | 0.255300 | 0.452751 | -0.431005 | -0.589923 | 0.000000 | 0.000000 | 0.000000 |
0.493281 | 0.000109 | 0.118831 | 0.413636 | 0.361043 | -0.748400 | 0.000000 | 0.000000 | 0.000000 |
0.210822 | 0.000036 | 0.024168 | 0.168307 | 0.608323 | 0.961450 | 1.000000 | 0.000000 | 0.000000 |
8.110288 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
4.535113 | 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)
|