Please follow best practices for questions here.
At the least, I need to know what input file you’re trying to use (please simplify it as much as possible - shrink the system and the basis set as much as feasible) and what Psi4 version you’re using.
Please follow best practices for questions here.
At the least, I need to know what input file you’re trying to use (please simplify it as much as possible - shrink the system and the basis set as much as feasible) and what Psi4 version you’re using.