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Tips for (TS) optimization
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= Standard Optimization = Remebmber to use GaussView's Force Field optimization before going further if your structure is sketchy If it is still "ugly", you may use your favourite DFT method with a reduced basis set such as STO-3G For most SCF convergence problems, scf=qc is what you need. G09.d1 on cesca has a new scf=yqc. Now, on g09.d1 version, the option XQC is available. It runs a normal SCF and if it fails, it starts to do a QC type of SCF. It is useful if in some steps of the optimization the calculation fails but in other goes well because it reduces the computational time considerably.
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