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Topic: Gaussin 98 problem  (Read 2596 times)

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Offline gihankaushyal

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Gaussin 98 problem
« on: February 01, 2012, 11:25:10 PM »
Im doing molecular simmulations on gaussian 98. these days im potimizing Cu2+ with the ligand Fromohydroxamic. every time i tried to optimize the molcule i was given an error saying that i can't be optimizd. i tried evry thing i know. can anyone help me with that?

i.e. my basis set is # B3LYP/Gen pseudo=read opt freq SCF=(maxcycle=200)
thank you :)

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