My question is why I am getting a charged cell at all even if the cif file is neutral. however, when I make input file using cif file of paracetamol (image and source file attached), it always gives me charged unit cell. I can optimize charged cell but my software (https://www.crystal.unito.it/index.php) refuse to calculate the IR and RAMAN spectra for charged system.
My question is why I am getting a charged cell at all even if the cif file is neutral.