I have tried finding sources (publications, websites, blogs) that outline the logic of accepting the resultant structure of optimisation. I understand using a Hessian to determine if the structure is a local minimum. I am more interested in understanding what steps I should take to make sure that my functional and basis set are accurately determining the bond lengths and angles. I would need to know for benchmark testing so I can choose a functional and basis set that balances accuracy and cost.
Are there any resources that explain this type of process in-depth?
EDIT:
I found these answers on this forum from LordStryker and Martin that both give pretty thorough explanations for how to validate structures and choose a good functional for a project
