Md. Byzed Hasan What kind of error arises by the end of the output file?

It would be unusual for a geometry optimization to fail specifically due to "charge distribution" issues. This is because charge distribution is typically calculated after the self-consistent field (SCF) computation, meaning it is a result of the calculation rather than a direct cause of errors.

In most cases, nonsensical charge distributions arise from problematic calculations (e.g., convergence failures, incorrect initial geometries, or inappropriate computational settings) rather than being the primary source of the error.

Hi Md. Byzed Hasan, what error are you seeing in the output? Could you also provide the input you used?

If you use DFT or ab initio theory (HF, MP2, CCSD(T), etc.) in your calculation, the only information you provide is a starting geometry, total charge and multiplicity. No initial charge distribution is provided (and needed)

Agustin Morales The geometry optimization process terminated with the following error message:

"Severe Error Message #2070 The processing of the last link ended abnormally. All processing has been aborted. The output file will now open. Please see the end of the output file for additional information."

Could you please assist me in understanding how to resolve this issue?"

Lucas Gian Fachini The geometry optimization process terminated with the following error message:

"Severe Error Message #2070

The processing of the last link ended abnormally. All processing has been aborted. The output file will now open. Please see the end of the output file for additional information."

Could you please assist me in understanding how to resolve this issue?"

Md. Byzed Hasan Can you paste the end of the output file for additional information?

Use a lower memory and one proc in your input file for example:

%mem=1GB

%nproc=1