Dear antti_karttunen,

Thanks for your help.

I'm using BP86/TZVP level and I used the COSMO solvation model during the optimization. Because of COSMO solvation model, I needed Numforce to perform my frequencies calculations and check if my structure is a true minimum.

The molecules I study have 30-140 atoms, most of them having 45-80 atoms.

My system specifications are:

Processor: Intel® Xeon(R) CPU E5-2687W 0 @ 3.10GHz × 16

RAM: 15,6 GiB (not 32 I was mistaking).

Graphics: Quadro K4000/PCIe/SSE2 (never know, if I can use the GPU to speed up a bit the computations...)

So, in your opinion, there is no any option to speed up my computations? Therefore I will not be able to finish all the computations before the end of my PhD next year ...

After more than two weeks of 16-node calculations, I could check only 19 out of my more than 300 structures.