These come from the CADPAC basis set file I got from Aron Cohen, and are
3S2P for H
4S2P for Li
5S4P2D for B-Ne
9S6P3D for Si-Cl
Cartesian basis functions are used.
For the first-row elements, the composition matches with the one given in J. Chem. Phys. 108, 2545 (1998). The second-row composition was given by Aron, but it is also the only "custom" basis set in the CADPAC file that has these atoms with polarization functions.
codecov-commenter
commented
2 years ago
These come from the CADPAC basis set file I got from Aron Cohen, and are
Cartesian basis functions are used.
For the first-row elements, the composition matches with the one given in J. Chem. Phys. 108, 2545 (1998). The second-row composition was given by Aron, but it is also the only "custom" basis set in the CADPAC file that has these atoms with polarization functions.