Hi developers and users,
Could you please explain how to specify the multiplicity of a molecule in the singlet excited state within a Q-Chem input file?
Thank you for the assistance.
It sounds like you need to read Ch. 3 of the User’s Manual, to get started with basic job setup like $molecule and $rem.
https://manual.q-chem.com/latest/Ch3.S3.SS1.html