Hi everybody,
I have a organometallic complex whose wave function I’ve calculated with G09
(UDFT, as it’s a quintet, TPSSh/def2-SVP). I open Gaussian's formatted
checkpoint with Avogadro to draw the orbitals.
First thing. According to Avogadro, the HOMO is orbital no. 182, but it is
indeed or
On Sat, Jun 20, 2015 at 10:38 AM, Jose A Gamez wrote:
> Hi everybody,
>
> I have a organometallic complex whose wave function I’ve calculated with G09
> (UDFT, as it’s a quintet, TPSSh/def2-SVP). I open Gaussian's formatted
> checkpoint with Avogadro to draw the orbitals.
>
> First thing. Accord
