I have this error with a iodine molecule :
QcdbException BasisSetNotFound: BasisSet::construct: Unable to find a basis set for atom 1 for key BASIS among:
Shell Entries: ['I']
Basis Sets: [('6-311G**', '6-311G**', None)]
I have psi4 version 1.8.1 on a mac arm
I have this error with a iodine molecule :
QcdbException BasisSetNotFound: BasisSet::construct: Unable to find a basis set for atom 1 for key BASIS among:
Shell Entries: ['I']
Basis Sets: [('6-311G**', '6-311G**', None)]
I have psi4 version 1.8.1 on a mac arm