Multiplicity default

1

In Psi4 there is the option to not specify a charge or multiplicity in the molecule{} function.

What does Psi4 exactly do when it doesn’t encounter an argument for charge and multiplicity?
Assuming I am doing an optimize(), does Psi4 then iterate through multiplicity 1,3,5,7 and return only the lowest energy result? If that is the case, is there a possibility to output the other calculations and not just the last one?

2

Charge = 0
Multiplicity = 1

There is no looping over multiplicities involved, as can be easily confirmed by doing an optimize().

3

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