What difference in MO energies is crucial?

[dushut]

I have a very stupid question

What difference in MO energies is crucial?
That's my sistem: I use Gaussian 03.
I have a phenoloxide optimized in two different ways. In solvent and in gas-phase. RMSD between two geometries is very close to 0.
Then I perform SP calculations in solvent for both geometries. And the difference in deltaG solv in very high, about 10kcal/mol.
I wonder maybe the point is in MO?
The difference in energies is about 3-7 kcal/mol for Alpha occ. eigenvalues

p.s. sorry that I'm using English, anyway is better that translit

[sanya1024]

Думаю, что дело не в МО. Совершенно незначительные различия в геометрии могут привести к заметным различиям в форме полости, к-рую строит вокруг молекулы программа при расчете PCM. Все модели PCM крайне чувствительны к форме и размеру полости, и 10 ккал/моль вполне могут набежать за счет этого.