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Iodine issue #48

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thegodone opened this issue Sep 18, 2023 · 0 comments
Open

Iodine issue #48

thegodone opened this issue Sep 18, 2023 · 0 comments

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@thegodone
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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
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@thegodone