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go back to [[Main Page]], [[Computational Resources]], [[Chemistry & More]], [[Computational Codes]], [[GAUSSIAN]], [[G09]] Gaussian09 uses microiterations in the optimisation of transition states with ONIOM. This is different from Gaussian03. The use of microiterations makes the calculation faster, but in many cases the exact transition state can be difficult to find (the structure "jumps" around in an area very close to the true transition state, but the optimisation procedure does not succeed in localising the transition state). A solution is to turn off the microiterations with the "noMicro" option.
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