CCL:G: AIM for molecular ion
- From: "Dario Fernando Coral"
<ferchocoralg16()gmail.com>
- Subject: CCL:G: AIM for molecular ion
- Date: Wed, 19 Oct 2011 19:20:22 -0400
Sent to CCL by: "Dario Fernando Coral" [ferchocoralg16__gmail.com]
regards
Does anyone know how to perform AIM calculations in gaussian 09 or 03 for a
molecular ion?
I have performed this calculation for the neutral water molecule, but when I use
AIM command on the furfuryl-aniline molecular ion, gaussian 09 has an error in
the link L609
The route card I used is as follows: # ub3lyp/631g(d) AIM=charge test
thanks in advance