Gaussian 16w ⇒
Gaussian 16 has a wide range of applications in various fields, including:
Even with a GUI, Gaussian has a steep learning curve. If you are diving in, keep these technical "gotchas" in mind: gaussian 16w
But this time, she’d chosen differently. with an ultrafine integration grid. A def2-TZVPP basis set. And she’d added the Opt=VeryTight and Int=UltraFine keywords like a priest scattering holy water. Gaussian 16 has a wide range of applications
Always check your memory limits in the route section ( %Mem ) to avoid crashes. including: Even with a GUI