[joelaviano]

Hi all,

As part of a class project, I am tasked with generating an IR spectra of ferrocene using the Gaussian software. Unlucky for me, I'm not very experienced with Gaussian, so all my knowledge has been gained reading various online sources and playing around myself.

In any case, after building the molecule, my goal is to run a ground state optimization on it. I've tried a few ways: using the opt+freq method and attempting to run just the optimization first prior to the frequency optimization (with a few basis sets), and keep running into a "2070 Error: Convergence Failure". Somehow or another, that means the function can't iterate to a value, but I'm not sure how to troubleshoot this error.

Does anyone know a 'quick fix' past this issue? Or is there a far major issue in my way of optimizing this structure?

(My best option so far is the HF optimization under a 6-31G+(d) basis set, but after a while, I still come up with the same issue.)

Thank you in advance to any Gaussian professionals who think this is child's play.
-Joe