14 November 2017 5 5K Report

Hello,

I have to optimise [Re(OH2)(CO)3(phen)]+, I have made the structure on gaussview, I have attempted to optimise the complex with B3LYP method in gen mode (SDD for Re and 6-31g(d,p) for the other atoms) but I keep experiencing problems. I would appreciate if someone could show me a sample input for gaussian to optimise this complex.

Thank you

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