Please make sure that the atom names in your input file correspond to element names.
When using Multiwfn to construct a cluster model, Multiwfn does not recognise the type of atom correctly, for example, when I have an N atom, it recognises it as a C atom, how can this be resolved?
In the picture, the ones circled in red are supposed to be N atoms, but they are recognised as C atoms, how can this be solved?