I have been trying to optimize the structure of ionic liquid containing ammonium as cation and closo dodecaborane as anion with gaussian and gauss view. But the anion instead of developing electrostatic interaction with cation, captures the two hydrogens from cation.
Jürgen Weippert
You probably have to force the initial occupation numbers for your orbitals in the initial guess, but I don't know how to do that for Gaussian.
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